X-Ray Sources and Detectors Found in
Acta Crystallographica Section E, 58 (2002)
Summary
A total of manuscripts found in Acta E = 921 (2002)
1. X-Ray source 2. Source type 3. Temp condition 4. Detector type
---------------------- ---------------------- --------------------------- -----------------------
Total = 921 Total = 827 Total = 921 Total = 919
---------------------- ---------------------- --------------------------- -----------------------
Mo = 835 (90.7%) Tube = 759 (91.8%) Room temp. = 525 (57.0%) AFC = 328 (35.7%)
Cu = 81 (8.8%) RA = 63 (7.6%) CCD = 510 (55.5%)
Neutron= 0 Neutron= 0 Controled = 356 (38.7%) IP = 64 (7.0%)
SR = 4 (4.3%) SR = 4 (0.5%) Multiwire= 0
Fe = 1 (0.1%) ---------------------- --------------------------- -----------------------
----------------------
SR=synchrotron; RA=rotating anode
Each manuscripts
E58 Part 1 EN=Enraf-Nonius; N=Nonius; R=Rigaku; B=Bruker; S=Siemens; 4C=four circle
==========================================================================================================================================================
Page Auth Formula Mr SPG Temp Source Device Obs.REF Qmax Rint NREF Npar Data reduction Rall wRall Fraction
----------------------------------------------------------------------------------------------------------------------------------------------------------
i1-i2 Dabkowska CoGaO4Yb 365.7 R-3m 299 MoKa RA CCD 1932 36.2 0.047 187 14 SAINT 0.029 0.062 0.954
i3-i5 Kolitsch H12MgO10Se 275.4 C2/c 293 MoKa tube N KappaCCD 5214 30.0 0.010 2705 148 HKL SCALEPACK 0.021 0.055 0.999
i6-i8 Lee H30Mo6N4Ni 1168.6 P21/a 298 MoKa tube Stoe STADI4 3290 27.6 0.000 3290 178 X-RED 0.081 0.137 0.993
i9-i11 Tahiri MgO7P2Sr 285.9 P21/n 293 MoKa tube Bruker CCD 7156 31.7 0.069 1798 101 SAINT 0.057 0.071 0.951
m1-m3 Okabe C12H14Mo2N 554.1 P-1 296 MoKa R AFC-5R 4227 27.5 0.011 3473 245 TEXSAN 0.108 1.000
m4-m6 Nather C24H32Cl6C 915.4 P21/n 293 MoKa tube Stoe IP Diffracti 30661 28.1 0.035 8309 389 IPDS Program 0.045 0.100 0.974
m7-m9 Odoko C12H14N4Ni 369.0 P21212 296 MoKa R AFC-5R 1018 27.5 0.000 1018 106 TEXSAN 0.057 1.000
m10-m12 Egdal C32H45.502 951.8 P21/c 120 MoKa tube S SMART CCD 45381 30.5 0.042 8461 521 SAINT 0.034 0.931
m13-m15 Pavlovic C14H15FeNO 301.1 P-1 200 MoKa tube N KappaCCD 4713 27.4 0.018 2772 178 DENZO and COL 0.024 0.057 0.976
m16-m17 Naumov C34H26CuN6 758.3 C2 95 MoKa tube S CCD 8924 27.6 0.094 4029 231 SAINT 0.078 0.104 0.997
m18-m19 Ng C6H18O6P3R 572.5 C2/c 298 MoKa tube N MACH3 4C 3583 25.0 0.001 1796 101 XCAD4 0.025 0.065 1.000
m20-m21 Ng C6H18O6OsP 661.7 C2/c 298 MoKa tube N MACH-3 4C 3741 25.0 0.024 1805 101 XCAD4 0.020 0.043 1.000
m22-m24 Yan C12H38MgMo 890.6 P-1 293 MoKa tube EN CAD-4 3339 26.0 0.010 3079 215 XCAD4 0.031 0.076 0.999
m25-m27 Odoko C28H28Cd2N 997.4 P21/c 296 MoKa R AFC-5R 4175 27.5 0.026 2684 253 TEXSAN 0.124 1.000
m28-m29 Chandra C12H20Cl2O 384.3 P-1 293 MoKa tube EN CAD-4 2632 25.0 0.000 2632 154 maXus 0.038 0.090 0.991
m30-m32 Nather C12H16CoN6 399.4 P-1 293 MoKa tube Stoe AED-II 4C 2790 30.0 0.033 2513 110 REDU4 0.052 0.079 1.000
m33-m35 Smith C27H50Cd1C 762.6 P21 168 MoKa B P4 6081 26.4 0.032 3421 406 SAINT and Xtal3.7 AD 0.061 0.990
m36-m38 Janczak C32H16AsI3 968.2 P21/n 295 MoKa tube Kuma KM-4 with CC 26611 29.0 0.039 7507 397 Kuma KM-4 CCD 0.124 0.042 0.949
o1-o4 Wolf C22H18N4O6 466.5 P-1 293 CuKa tube Kuma KM-4 4490 50.1 0.052 4354 596 DATAPROC 0.133 0.180 0.988
o5-o7 Bond C7H9N 107.2 I2/a 150 MoKa tube N KappaCCD 2651 30.0 0.165 912 46 HKL SCALEPACK 0.096 0.214 0.982
o8-o9 Grossie C23H20O5 376.4 P21/c 293 MoKa tube EN CAD-4 6973 30.0 0.016 5758 254 XCAD 0.130 0.219 0.995
o10-o12 Hokelek C14H8Br6 655.6 P-1 293 MoKa tube EN TurboCAD-4 3596 26.3 0.022 3347 203 XCAD4 0.087 0.080 1.000
o13-o15 Deschamps C35H51N5O1 735.9 C2 153 CuKa RA B SMART 6000 CCD 17149 65.1 0.033 10567 966 SAINT 0.054 0.112 0.932
o16-o17 Grintselev- C6H18B10 198.3 P21/n 110 MoKa tube B SMART 1000 CCD 14366 30.1 0.049 3557 217 SMART and SAI 0.085 0.128 0.981
o18-o19 Bates C32H36O2 452.6 P21/c 170 MoKa tube CCD 23714 25.1 0.099 4484 313 SAINT 0.141 0.139 0.999
o20-o23 ozturk C28H19Cl2N 823.3 P-1 293 CuKa tube EN CAD-4 7549 74.2 6411 469 XCAD4 1.000
o24-o26 Zhang C19H17N3O3 335.4 Pbca 293 MoKa tube SMART APEX CCD 16332 25.1 0.086 2986 228 SHELXTL 0.089 0.076 0.998
o27-o29 Cherioux C18H26N4O2 330.4 P212121 153 MoKa tube Stoe IPDS 14006 26.0 0.039 3477 322 INTEGRATE 0.041 0.058 0.991
o30-o32 Hokelek C19H14O6 338.3 P21/n 293 MoKa EN Turbo-CAD-4 2479 24.2 0.019 2300 226 XCAD4 0.116 1.000
o33-o34 Jovanovic C18H16 232.3 Fdd2 293 MoKa tube N KappaCCD 10913 25.3 0.041 1285 163 DENZO and SCA 0.128 0.076 0.966
o35-o36 Jovanovic C18H16 232.3 Pbca 291 MoKa tube N KappaCCD 5855 27.5 0.036 5855 325 DENZO and SCA 0.091 0.111 0.997
o37-o39 Usman C18H14ClNO 343.8 P-1 293 MoKa tube S SMART CCD 5179 27.0 0.068 3338 222 SAINT 0.095 0.194 0.971
o40-o41 Wolska C13H9NO5 259.2 P21/c 293 MoKa tube Kuma KM-4 CCD 4062 22.5 0.079 1463 172 CRYSALIS RED 0.079 0.168 0.993
o42-o44 Langer C19H24O8 380.4 P21/c 183 MoKa tube S SMART CCD 30831 33.0 0.047 6775 275 SAINT and SAD 0.091 0.133 0.953
o45-o47 Mary C6H12BNO6 205.0 C2221 293 CuKa tube EN CAD-4 988 69.7 0.021 871 90 MolEN 0.027 0.103 0.998
o48-o49 Kooijman C30H52O2 444.7 P21 150 MoKa RA EN CAD-4-Turbo 7483 27.5 0.042 6469 599 HELENA 0.115 0.137 0.999
o50-o52 Moreno-Fuqu C13H11N3O7 321.3 P21/n 123 MoKa tube N KappaCCD 4607 0.011 2973 212 DENZO and COLLECT 0.095
o53-o54 Low C20H22N6 346.4 P21/c 100 MoKa tube KappaCCD 10902 27.5 0.077 4002 244 DENZO-SMN 0.141 0.150 0.984
o55-o56 Low C16H16N4 264.3 P21 120 MoKa tube Kappa-CCD 10746 27.5 0.074 3086 363 DENZO-SMN 0.102 0.146 0.983
o57-o58 Low C14H11ClN2 338.8 P21/c 120 MoKa tube N KappaCCD 6289 25.0 0.066 2714 201 DENZO-SMN 0.139 0.116 0.839
o59-o61 Muthiah C14H19ClN4 390.8 P-1 293 MoKa S AED 5105 30.2 0.000 5105 238 AED 0.073 0.168 0.996
o62-o64 Doi C41H49N7O6 767.9 P41212 293 CuKa R RU200 R AFC-5R 4364 56.0 0.194 4062 496 MSC/AFC Diffr 0.217 0.155 0.935
o65-o66 Guzei C17H16N2O6 376.4 P212121 173 MoKa tube B CCD-1000 7922 26.4 0.023 3312 299 SAINT 0.032 0.073 0.985
o67-o68 Jovanovic C18H16 232.3 P21/c 291 MoKa tube N KappaCCD 13022 27.5 0.031 2965 163 DENZO and SCA 0.075 0.140 0.997
o69-o71 Dupont C17H20ClN5 329.8 P21/n 293 MoKa tube EN CAD-4 7197 26.3 0.022 3511 217 HELENA 0.051 0.122 0.999
o72-o73 Linker C29H35ClO9 627.1 P1 291 MoKa tube N KappaCCD 15324 27.5 0.043 10443 747 DENZO and SCA 0.103 0.078 0.973
o74-o76 Pandiarajan C10H19ClN2 330.7 P21 293 MoKa tube EN tube 1528 25.0 0.009 1420 204 CAD-4 Softwar 0.066 0.145 0.999
o77-o78 Schaper C22H8BF15S 600.2 P-1 230 MoKa tube S P4 7694 27.0 0.034 4359 384 XSCANS 0.035 0.083 0.946
o79-o80 Shieh C27.50H48O 402.7 P1 293 CuKa tube Syntex P\=1 7176 57.4 0.000 6750 1097 SYNOUT 0.067 0.102 0.940
o81-o82 Flippen-And C28H34Cl2F 523.5 P-1 293 CuKa R RA B SMART 6000 9044 67.2 0.000 9044 635 SAINT 0.080 0.190 0.622
o83-o85 Coles C11H28ClNO 321.8 C2/c 120 MoKa N KappaCCD 14261 27.5 0.051 3595 199 DENZO and COLLECT 0.087 0.992
o86-o87 Parthasarat C15H12O2 224.3 Pbca 293 CuKa tube EN CAD-4 2107 67.9 0.000 2107 156 MoLEN 0.070 0.129 1.000
E58 Part 2
i12-i14 Picard K2Mo15S19 2126.4 293 MoKa tube EN CAD-4 4181 34.9 2102 58 WinGX 1.000
i15-i16 Kessenich C6N9P3S6 483.4 P21/c 293 MoKa tube N MACH3 6069 0.014 5810 433 MolEN 0.081 0.131
i17-i18 Lee AuBaSb 456.1 P63/mmc 293 MoKa B P4 412 25.9 0.075 89 8 SHELXTL 0.082 0.921
i19-i20 Ouarsal H4O6P2Sr 249.6 P-1 293 MoKa tube Stoe IPDS-II two- 1079 25.0 0.000 1079 82 X-Area 0.070 0.182 0.997
m39-m40 Nather C16H24Cl2C 462.9 P21/c 293 MoKa tube STOE AED-II 4C 5869 30.0 0.027 3152 129 REDU4 0.048 0.101 0.956
m41-m42 Blake C18H25BCuN 429.8 P21/c 150 MoKa tube B SMART1000 CCD 14745 27.5 0.050 4937 260 SAINT and SHE 0.084 0.125 0.901
m43-m46 Blake C7H9CuNO7 282.7 P21/n 150 MoKa tube B SMART 1000 CCD 6789 27.5 0.022 2248 164 SAINT and SHE 0.023 0.061 0.883
m47-m50 Reis C12H32Cl6I 609.3 P21/c 293 MoKa tube Stoe CCD 25279 25.0 0.073 3932 205 CrysAlis RED 0.046 0.094 0.990
m51-m52 Horn C26H27ClPR 508.8 P212121 296 MoKa tube Picker 4C 3170 28.3 2839 262 MolEN 0.046 1.000
m53-m54 McIndoe C14H10Fe2H 554.5 P43212 203 MoKa tube S SMART CCD 3323 28.3 0.029 1726 97 SADABS 0.038 0.100 0.986
m55-m57 Albada C8H10CuN8O 377.8 P-1 193 CuKa tube EN CAD-4 2565 66.9 0.042 1177 106 XCAD4 0.034 0.100 0.989
m58-m60 Amini C24H38Cl2O 644.1 P-1 168 MoKa tube S CCD 17544 26.4 0.030 5523 331 SAINT 0.044 0.069 0.955
m61-m62 Yang C20H44CuF1 822.1 I-42m 298 MoKa tube S R3m 4C 1035 26.0 0.028 544 89 R3m Software 0.030 0.071 1.000
m63-m64 Nather C16H24Br2C 551.8 P21/c 293 MoKa tube EN CAD-4 5129 30.1 0.039 3300 128 XCAD4 in SDP 0.084 0.104 0.956
m65-m67 Coles C43H39BO3S 851.9 C2/c 150 MoKa N FAST TV 14161 0.061 5411 481 MADNES 0.078
m68-m69 Kuksa C12H28Cl4N 564.9 I2/a 150 MoKa tube Delft Instruments 12531 27.5 0.043 2470 119 ABSMAD 0.040 0.084 0.986
m70-m71 Peters C32H20CrF1 772.4 P-1 293 MoKa tube S B P4 3507 25.0 0.017 2842 223 XSCANS 0.046 0.087 0.990
m72-m73 Scholz C15H15ClCu 336.3 Cmc21 173 MoKa tube Stoe IPDS II two- 6254 25.2 0.086 1518 103 X-AREA 0.070 0.075 0.976
o88-o89 Sugadev C47H37NO3 663.8 P21/c 293 CuKa tube EN CAD-4 7151 70.1 0.015 6910 465 CAD-4 Softwar 0.065 0.176 0.999
o90-o92 Langer C19H24O7 364.4 P-1 183 MoKa tube S SMART CCD 9676 25.4 0.049 3238 265 SAINT and SAD 0.093 0.123 0.996
o93-o94 Vasuki C19H31NO6 369.5 P21/n 293 CuKa tube EN CAD-4 4071 67.9 0.030 3723 237 MolEN 0.059 0.157 0.999
o95-o97 Srinivasan C5H12N2O5 180.2 P-1 293 CuKa tube EN tube 5768 32.5 0.012 5409 435 CAD-4 Softwar 0.071 0.180 0.957
o98-o101 Kruszynski C20H21N3O4 367.4 P21/n 293 CuKa tube Kuma KM-4 4204 80.6 0.034 3916 250 DATAPROC 0.163 0.248 0.890
o102-o104 Chantraprom C12H16N4O5 296.3 C2/c 203 MoKa tube S SMART CCD 7527 28.3 0.074 3218 255 SAINT 0.082 0.131 0.965
o105-o107 Fabry C7H11Cl1N1 239.6 P21/c 290 MoKa Kuma KM-4 4283 26.3 0.141 2151 132 JANA2000 0.177 0.170 1.000
o108-o110 Chantraprom C16H20N6O1 456.4 P21/n 183 MoKa tube S SMART CCD 9040 25.0 0.093 3427 304 SAINT 0.119 0.138 0.982
o111-o113 Kolev C15H22N6O4 350.4 P21/c 293 MoKa tube EN CAD-4 8538 28.0 0.033 4209 232 DATARED 0.078 0.126 0.949
o114-o116 Alagar C8H20N2O12 336.3 P21/c 293 CuKa tube EN CAD-4 3513 67.9 0.033 2616 232 CAD-4 Softwar 0.038 0.099 1.000
o117-o119 Krishnakuma C5H10NO6.5 188.1 C2/c 293 MoKa tube EN CAD-4 1463 25.0 0.023 1424 156 CAD-4 Softwar 0.043 0.090 0.945
o120-o122 Gilardi C49H49N7O2 768.0 P-1 93 MoKa tube B CCD 13583 26.4 0.039 8141 524 SAINT 0.086 0.116 0.994
o123-o125 Ravikumar C18H25N2O8 428.4 P21 293 MoKa tube EN CAD-4 2762 25.0 0.064 2439 267 CAD-4 Softwar 0.172 0.184 0.998
o126-o128 Rybakov C10H10ClN3 207.7 P-1 293 MoKa tube EN CAD-4 8918 27.0 0.017 8591 666 WinGX98 and XCAD4 0.133 1.000
o129-o131 Bryan C40H44O8 652.8 P21/c 233 MoKa tube EN CAD-4 7830 25.0 0.029 6061 487 XCAD4 0.129 0.134 1.000
o132-o133 Zhang C25H17N3 359.4 Pna21 183 MoKa tube S SMART CCD 10933 28.3 0.086 2435 254 SAINT 0.059 0.104 0.981
o134-o136 SethuSankar C42H32N2O4 756.9 P21/n 293 MoKa tube S SMART CCD 12921 28.3 0.086 4615 236 SAINT 0.146 0.144
o137-o138 Healy C8H10O3S 186.2 P21/n 295 MoKa R RA R AFC7R 1795 25.0 0.022 1565 109 teXsan for Wi 0.064 0.101 0.998
o139-o141 Dahl C16H9N5 271.3 P21/n 100 MoKa tube EN CAD-4 4052 28.0 0.021 3047 190 XCAD4 0.128 0.138 0.914
o142-o144 Esser C26H38O6 446.6 P21 293 MoKa tube N KappaCCD 7442 23.5 0.027 4045 540 DENZO and SCA 0.075 0.166 0.994
o145-o147 Usman C20H16N2O4 348.4 P-1 183 MoKa tube S SMART CCD 4078 25.0 0.056 2870 238 SAINT 0.082 0.192 0.976
o148-o150 Visnjevac C19H17ClN2 356.8 P61 293 MoKa tube EN CAD-4 2904 26.3 0.113 1796 236 HELENA 0.221 0.154 0.996
o151-o153 Tian C21H13N3 307.3 C2/c 183 MoKa tube S SMART CCD 9550 28.3 0.072 3941 270 SAINT 0.098 0.133 0.960
o154-o155 Chattopadhy C30H42.58O 567.9 P212121 295 MoKa tube B P4 4177 26.0 0.027 3321 383 XSCANS 0.150 0.189 0.996
o156-o157 Benali-Cher C7H8N2O5 200.2 C2/c 298 MoKa tube MACH3 2923 0.018 1654 159 BEGIN_SDP 0.073 0.057
o158-o159 Aygun C20H20N2 288.4 P-1 293 MoKa tube S SMART 1000 CCD 5288 27.5 0.026 3600 235 SAINT 0.112 0.190 0.960
o160-o161 Benali-Cher C7H12NO7P 253.2 P-1 294 MoKa tube MACH3 6146 0.015 3740 361 OpenMoleN 0.039 0.058
o162-o164 Zhao C33H25NO2 467.5 P21/n 183 MoKa tube S SMART CCD 14058 28.3 0.075 5767 327 SAINT 0.076 0.151 0.959
o165-o166 Hansen C13H15NO3S 265.3 P212121 298 MoKa tube EN CAD-4 1734 27.0 0.005 1695 165 XCAD4 0.054 0.107 0.999
o167-o169 Cai C20H28N4O3 372.5 Pccn 294 MoKa tube B CCD 11751 26.8 0.105 2120 133 SHELXTL 0.174 0.155 1.000
o170-o171 Esser C10H10Br2O 322.0 Cc 295 MoKa tube N KappaCCD 2145 26.4 0.000 2145 131 DENZO and SCA 0.026 0.064 0.923
o172-o174 Kooijman C20H36O3 324.5 C2 150 MoKa RA N KappaCCD 28559 27.5 0.042 2367 213 DENZO 0.056 0.107 0.997
o175-o177 Xie C15H17NO2S 275.4 P21/n 293 MoKa tube B CCD 8374 27.2 0.022 3200 195 SAINT-Plus 0.069 0.127 0.984
o178-o179 Brown C25H24O2 356.4 P21/a 295 MoKa R RA R AFC-7R 3985 25.0 0.029 3440 245 TEXSAN for Wi 0.105 0.174 0.999
o180-o182 Panneerselv C22H28N4O7 460.5 P-1 293 MoKa tube EN CAD-4 4377 25.0 0.036 3889 365 MolEN 0.084 0.216 0.999
o183-o184 Jia C50H64N2O2 725.0 P43212 294 MoKa tube B CCD 30648 27.5 0.103 5130 243 SHELXTL-NT 0.189 0.149 0.997
o185-o187 Britton C7H2Br2FN 278.9 P21/c 123 MoKa tube S SMART 6999 27.5 0.059 1792 100 SAINT 0.053 0.089 0.994
o188-o190 Arrieta C12H12O2 188.2 P21/c 150 MoKa tube B SMART 14200 23.3 0.083 2874 283 SAINT 0.096 0.228 0.997
o191-o193 Jay C8H7NO2S 181.2 P21/c 120 MoKa tube B SMART 6000 6296 30.5 0.051 2542 137 SAINT 0.069 0.130 0.989
o194-o195 Bond C14H16N2O6 372.4 P21/c 180 MoKa tube N KappaCCD 5086 27.5 0.045 1886 116 HKL DENZO and 0.075 0.108 0.990
o196-o197 Bond C10H22 142.3 P-1 150 MoKa tube N KappaCCD 2851 27.4 0.069 1122 90 HKL SCALEPACK 0.068 0.181 0.975
o198-o199 Hansen C13H17NO3S 299.4 P21/n 298 MoKa tube EN CAD-4 2478 25.0 0.011 2275 175 XCAD4 0.043 0.117 0.909
o200-o201 Gholivand C16H22N3OP 303.3 Pnam 298 MoKa tube EN CAD-4 1939 27.5 0.000 1939 105 XCAD4 0.104 0.156 0.998
o202-o203 Light C20H31NO3S 361.6 C2/c 120 MoKa B N FR591 N KappaCCD 6912 18.8 0.103 3107 226 DENZO COLLECT 0.201 0.254 0.863
o204-o205 Coles C27H36N2O6 512.7 P-1 120 MoKa N KappaCCD 19904 27.5 0.050 5893 332 DENZO and COLLECT 0.128 0.989
o206-o208 Hokelek C16H15N1O2 253.3 P21/c 293 CuKa tube EN CAD-4 2612 74.1 2141 176 XCAD4 0.112 0.200 1.000
o209-o210 Fleischer C15H22NO4. 320.4 C2 295 CuKa EN CAD-4 3574 73.9 0.023 3092 208 CORINC 0.059 0.149 0.997
o211-o214 Sridhar C18H26N2O1 478.5 P21 293 MoKa tube EN CAD-4 3011 25.0 0.015 2459 304 CAD-4 Softwar 0.033 0.084 0.999
E58 Part 3
i21-i22 Kang AgBaBi 454.2 P63/mmc 293 MoKa R AFC-6R 133 30.0 0.000 133 8 TEXSAN 0.102 0.910
i23-i25 Ouarsal H8NaO10P3Z 349.3 Pbca 298 MoKa tube B SMART 1000 CCD 16277 32.5 0.044 3585 137 SAINT 0.040 0.057 0.997
i26-i28 Evans H2K1Li1O5W 311.9 Pbca 293 MoKa SMART 1K CCD 11020 0.070 836 81 SAINT 0.020 0.997
m74-m76 Kuksa C12H32Cl2N 458.0 P21/m 150 MoKa tube Delft Instruments 15576 26.4 0.051 2090 152 ABSMAD 0.028 0.063 0.997
m77-m79 Okabe C21H19N2O4 414.3 P-1 296 MoKa R AFC-5R 4645 27.5 0.018 4389 253 TEXSAN 0.176 1.000
m80-m82 Kissick C3H14GaN2O 416.8 C2/c 293 CuKa EN CAD-4 2586 74.2 0.036 1267 99 0.037 0.074 0.998
m83-m85 Tatar C20H23Cl2N 555.1 P212121 293 MoKa tube EN CAD4 2929 27.2 0.015 2927 272 XCAD4 0.034 0.090 0.999
m86-m87 Ho C26H31AuNO 697.6 P21/c 223 MoKa tube B AXS SMART CCD 21862 30.0 0.034 7806 308 SHELXTL 0.045 0.078 0.995
m88-m89 Florke C24H30O8P2 880.8 P-1 200 MoKa tube B P4 8026 27.5 0.023 6665 330 SHELXTL 0.056 0.096 0.989
m90-m92 Jones C37H17AuCl 1077.4 P-1 143 MoKa tube Stoe STADI-4 8252 25.0 0.029 6462 525 REDU4 0.037 0.072 0.997
m93-m95 Kooijman C160H170Fe 3291.5 P-1 150 MoKa RA N KappaCCD 91822 25.4 0.119 16169 977 DENZO 0.155 0.173 0.991
m96-m98 Blake C10H7Cl3Cu 357.1 C2/c 150 MoKa tube B SMART APEX 12577 27.5 0.026 3019 154 SAINT and SHE 0.033 0.071 0.941
m99-m101 Blake C12H17Cu2N 458.4 C2/c 150 MoKa tube Stoe Stadi-4 4C 1980 25.0 0.016 1517 120 X-RED 0.026 0.064 0.988
m102-m104 Kickelbick C12H20ClCu 474.9 P21/c 293 MoKa tube S SMART CCD 10319 20.8 0.031 2087 227 SAINT 0.051 0.125 1.000
m105-m106 Howie C4H8I4Sn 682.4 P-421c 298 MoKa tube B SMART 1000 CCD 6440 32.6 0.030 1191 21 SAINT 0.043 0.105 0.997
m107-m109 Nather C16H28Br2C 587.8 P-1 293 MoKa tube AED-II 4C 6010 28.0 0.037 5686 274 REDU4 0.093 0.111 0.999
m110-m112 Diz C14.50H7N2 672.4 I2/a 153 MoKa tube Stoe IPDS 18544 22.3 0.041 4743 532 INTEGRATE 0.044 0.107 0.951
m113-m115 Yoon C26H28Cl4C 693.4 Pbca 298 MoKa tube Stoe STADI4 3548 27.4 0.079 3324 172 X-RED 0.099 0.136 1.000
m116-m117 Egold C25H32NO8P 942.0 P-1 203 MoKa tube B P4 8235 27.5 0.053 6945 353 SHELXTL 0.078 0.149 0.992
m118-m120 Amini C42H54F6O1 1102.2 P-1 168 MoKa tube S CCD 13839 25.0 0.098 4135 281 SAINT 0.086 0.155 0.986
m121-m122 Necefoglu C48H48N4O1 971.6 Pbca 160 MoKa tube S SMART 1K CCD 18548 25.0 0.034 3940 291 SAINT 0.030 0.073 0.918
m123-m124 Necefoglu C62H58CaN4 1253.9 P21/n 160 MoKa tube S SMART 1K CCD 12317 25.0 0.039 4938 376 SAINT 0.052 0.097 0.892
m125-m126 Browne C7H23Cl4Co 501.4 P21/n 168 MoKa CCD 22443 26.5 0.032 3600 200 SAINT 0.036 0.061 0.989
m127-m129 Nandhini C6H14Cl2N2 314.5 P21/c 293 CuKa tube EN CAD-4 2282 67.9 0.044 2134 137 CAD-4 Softwar 0.040 0.114 0.957
m130-m132 Kristiansso C12H12CuF6 625.9 Pbcn 295 MoKa tube B SMART CCD 13434 28.0 0.035 2738 179 SAINT 0.052 0.105 0.979
o215-o217 Fun C25H17Cl2N 498.4 Pbca 183 MoKa tube S SMART CCD 25577 28.3 0.093 5513 301 SAINT 0.081 0.138 0.986
o218-o219 Fischer C5H14ClN3 151.6 P21/n 143 MoKa tube Stoe STADI-4 3151 27.5 0.026 1900 94 REDU4 0.028 0.065 0.998
o220-o221 Vijayalaksh C20H21NO3 323.4 P21/c 293 MoKa tube EN CAD-4 3430 25.3 0.047 3236 240 MolEN 0.083 0.206 0.923
o222-o223 Pandi C19H20N4 304.4 P21/c 293 MoKa tube S SMART CCD 10442 26.5 0.124 3496 209 SAINT 0.212 0.185 0.998
o224-o226 Barnes C20H30O9S 446.5 P212121 150 MoKa EN FR591 N KappaCCD 9970 28.3 0.058 5177 278 DENZO and COL 0.122 0.122 0.933
o227-o228 Barnes C13H23N3O6 317.3 P212121 150 MoKa EN FR591 EN FAST system 11775 25.0 0.073 2861 409 MADNES 0.066 0.058 0.881
o229-o231 Wieczorek C13H13O2P 232.2 P21/c 293 CuKa tube EN CAD-4 5076 75.1 0.029 2465 151 CAD-4 Softwar 0.044 0.122 0.936
o232-o234 Li C18H23NO3S 333.4 P212121 294 MoKa tube B CCD 11860 27.6 0.063 3952 208 SHELXTL 0.094 0.089 0.998
o235-o237 Checinska C6H10NO4P 191.1 P21/n 293 CuKa tube Kuma KM-4 2917 67.1 0.061 1410 124 DATAPROC 0.056 0.146 0.919
o238-o239 Thadani C12H16BNO2 217.1 Pca21 150 MoKa tube N Kappa-CCD 8659 26.4 0.037 1259 150 DENZO SMN 0.034 0.080 0.994
o240-o242 Bryan C53H73NO7 836.1 P21/c 173 MoKa tube EN CAD-4 10485 25.0 0.022 8451 570 XCAD4 0.119 0.171 1.000
o243-o244 Li C30H30S3 486.7 P21/n 293 MoKa tube S SMART CCD 9493 25.1 0.033 4703 298 SAINT 0.160 0.996
o245-o247 Okabe C10H16O7 248.2 P21/c 296 MoKa R AFC-5R 3072 27.5 0.029 2660 170 TEXSAN 0.175 1.000
o248-o249 Greatrex C11H14O5 226.2 Pbca 123 MoKa KappaCCD 23956 27.5 2630 146 HKL SCALEPACK and DE 0.095 0.998
o250-o251 Jia C14H13NO 211.3 Pbca 294 MoKa tube B CCD 15120 27.6 0.047 2715 145 SHELXTL-NT 0.117 0.154 0.994
o252-o253 Light C27H36N2O6 512.7 P212121 120 MoKa B N FR591 N KappaCCD 14158 25.0 0.043 4610 326 DENZO COLLECT 0.042 0.081 0.995
o254-o256 Shishkina C12H11NO4 233.2 P21/c 293 MoKa tube S P3/PC 2133 25.0 0.012 1885 162 XDISK 0.080 0.116 0.981
o256-o258 Averbuch-Po C9H12N2O5 228.2 P21 293 MoKa tube EN CAD-4 2284 35.0 0.014 1817 145 TEXSAN 0.039 0.044 1.000
o259-o260 Krivokapic C12H12Cl3N 308.6 P21/a 150 MoKa EN KappaCCD 5779 0.010 2055 199 DENZO and SCALEPACK 0.029 0.998
o261-o262 Giraldes C18H24N2O4 332.4 P21 120 MoKa tube KappaCCD 8506 30.0 0.025 2780 223 DENZO and SCA 0.052 0.088 0.988
o263-o265 Eriksson C12H7Br3O 406.9 P21/n 293 MoKa tube Stoe IPDS 18021 26.0 0.081 2491 145 INTEGRATE and 0.105 0.060 0.976
o266-o267 Jones C20H10N2 278.3 P21/c 178 MoKa tube S R3 2909 25.0 0.050 2722 199 XDISK 0.097 0.138 0.995
o268-o269 Jones C32H41O5P 536.6 P21/n 143 MoKa tube Stoe STADI-4 5588 25.0 0.024 5037 368 REDU4 0.075 0.119 0.997
o270-o271 Guo C52H56O2P2 774.9 P21212 294 MoKa tube B CCD 15328 27.6 0.045 5134 253 SHELXTL-NT 0.090 0.128 0.999
o272-o276 Sridhar C10H21N2O1 401.4 P1 293 MoKa tube EN CAD-4 6238 25.0 0.000 6238 936 CAD-4 Softwar 0.037 0.087 1.000
o277-o278 Jones C10H14 134.2 P21/n 178 MoKa tube S R3 2589 27.5 0.020 1034 74 XDISK 0.053 0.121 0.999
o279-o281 Rajagopal C7H12Cl3NO 280.5 P-1 123 MoKa tube B SMART CCD 7923 30.7 0.019 3537 184 SAINT-NT 0.037 0.083 0.969
o282-o284 Jackson C13H10N2O3 242.2 Pbca 293 MoKa tube N KappaCCD 4857 27.5 0.022 2639 164 SCALEPACK 0.063 0.128 0.980
o285-o287 Chou C17H14O6 314.3 Pbca 293 MoKa tube N KappaCCD 6714 30.0 0.036 3958 211 SCALEPACK 0.086 0.157 0.944
o288-o289 Evain C12H10N2O2 246.3 P21/c 300 MoKa tube N KappaCCD 27839 32.1 0.039 4086 164 DENZO-SMN 0.074 0.119 1.000
o290-o292 Bats C15H16N2O2 288.4 P21/c 145 MoKa tube S SMART CCD 23670 29.0 0.096 3749 183 SAINT 0.146 0.117 0.980
o293-o295 Yamin C3H8N2S2 136.2 P21/c 293 MoKa tube S SMART CCD 3678 28.2 0.079 1513 65 SAINT 0.072 0.159 0.979
o296-o297 Simone C15H13BrO3 321.2 P21/c 120 MoKa tube N KappaCCD 5298 27.5 0.016 2971 175 HKL DENZO 0.045 0.114 0.999
o298-o299 Greatrex C19H16O5 324.3 C2/c 123 MoKa N KappaCCD 21591 27.5 0.037 3871 218 HKL DENZO and SCALEP 0.096 0.989
o300-o302 Jones C20H20O2 292.4 C2/c 178 MoKa tube Nicolet R3 3126 27.5 0.018 1710 101 XDISK 0.055 0.134 0.998
o303-o305 Loughlin C16H16O2S 272.4 P21/c 295 MoKa R RA R AFC-7R 6253 25.0 0.044 4965 344 TEXSAN for Wi 0.130 0.138 0.998
o306-o307 Williams C18H14BrP 341.2 P21/c 295 MoKa R RA R AFC-7R 4223 27.5 0.033 3540 182 TEXSAN for Wi 0.122 0.150 0.999
o308-o309 Garzino C20H25NO4S 375.5 C121 293 MoKa tube N KappaCCD 8349 28.9 0.041 4046 239 DENZO 0.046 0.103 0.952
o310-o311 Garzino C27H35NO7S 517.6 P21 293 MoKa tube N KappaCCD 12731 28.6 0.082 6413 332 DENZO 0.078 0.128 0.964
o312-o313 Bennani C30H25NO2S 463.6 P-1 173 MoKa tube S CCD three-circl 22101 25.4 0.033 4250 308 SAINT 0.051 0.099 0.994
o314-o316 Celik C12H7Br5 550.7 P21/n 293 MoKa tube EN TurboCAD4 2899 25.6 0.057 2766 154 XCAD4 0.152 0.107 1.000
o317-o320 Pavlovic C17H12ClNO 281.7 C2/c 200 MoKa tube N KappaCCD 4881 27.5 0.020 2954 185 DENZO and COL 0.055 0.109 0.433
o321-o323 Fallon C24H36F6N1 611.5 P-1 123 MoKa KappaCCD 16366 27.5 0.044 6721 377 HKL DENZO and SCALEP 0.133 0.970
o324-o325 Parvez C17H20O5 304.3 P21 173 MoKa tube N KappaCCD 4575 30.0 0.016 2477 203 SCALEPACK 0.039 0.093 0.990
o326-o327 Bond C7H9N 107.2 P-1 150 MoKa tube N KappaCCD 4192 27.5 0.030 2827 155 HKL DENZO and 0.106 0.145 0.969
o328-o330 Bond C7H9N 107.2 C2/c 150 MoKa tube N KappaCCD 9752 27.5 0.026 5740 301 HKL DENZO and 0.083 0.135 0.989
o331-o333 Bond C9H10 118.2 P21/n 180 MoKa tube N KappaCCD 3208 22.3 0.089 895 83 HKL DENZO and 0.105 0.250 0.979
o334-o335 Jeyabharath C24H28O5 396.5 P-1 293 CuKa tube EN CAD-4 4453 71.9 0.019 4204 262 XCAD-4-PC 0.106 0.142 0.969
o336-o337 Kocienski C25H52BNO3 453.6 P21/n 193 CuKa tube EN CAD-4 3959 55.2 0.046 3786 356 XCAD4 0.087 0.169 0.987
o338-o340 Merz C23H26N4O3 406.5 P21/c 203 MoKa tube B CCD 1000 12780 25.0 0.037 3704 282 SAINT 0.057 0.130 0.990
o341-o342 Dupont C9H7N1O1Se 224.1 Cmca 293 CuKa tube Stoe-S AED 4C 848 67.9 0.000 848 74 REDU4 0.054 0.111 0.955
o343-o344 Evain C30H26N4 442.6 P-1 300 MoKa tube KAPPACCD 23907 26.3 0.047 4616 320 DENZO-SMN 0.081 0.113 1.000
o345-o346 Zhang C19H19NO2S 372.3 P21/n 293 MoKa tube B CCD 7064 25.0 0.030 3033 208 SHELXTL 0.077 0.098 1.000
o347-o349 Eriksson C12H6Br4O 485.8 P21/n 293 MoKa tube Stoe IPDS 21426 26.0 0.049 2676 154 INTEGRATE and 0.059 0.056 0.982
E58 Part 4
i29-i31 Bali CuH5O5P 179.6 P212121 193 MoKa tube Stoe IPDS-II IP 11632 34.0 0.087 1798 84 XAREA 0.023 0.047 0.997
m133-m135 Tomura C44H72N6Ni 1000.3 P-1 173 MoKa R RA R/MSC Mercury CCD 12833 27.5 0.069 5808 283 TEXSAN 0.125 0.271 0.963
m136-m138 Dee C54H68Cd2F 1372.2 C2/c 223 MoKa tube B AXS SMART CCD 24873 30.1 0.031 8787 323 SHELXTL 0.041 0.074 0.993
m139-m140 Jones C21H26Fe 334.3 P21/n 178 MoKa tube Nicolet R3 2821 25.0 0.020 2768 206 XDISK 0.050 0.089 0.925
m141-m143 McMullen C16H38Co2F 1068.6 P21/n 100 MoKa tube B CCD 17919 27.5 0.053 4487 338 SAINT 0.056 0.100 0.996
m144-m146 Charmant C40H44Bi2I 2451.8 P-1 173 MoKa tube B SMART CCD 15998 27.5 0.061 6960 307 SHELXTL 0.100 0.102 0.985
m147-m149 Chebbi C4H14CrN2O 206.2 Pbca 293 MoKa tube EN CAD-4 1917 27.0 0.000 1917 121 MolEN 0.032 0.075 1.000
m150-m151 Tran C10H26HgN8 523.1 C2/c 130 MoKa EN TurboCAD-4 1690 25.0 0.023 1565 96 XCAD4 0.021 0.049 1.000
m152-m153 Kubicki C28H34Mo2O 872.2 P21/n 293 MoKa tube EN CAD-4 5899 26.0 0.049 5683 342 PROCESS in Mo 0.152 0.084 1.000
m154-m156 Tatar C21H27Br2N 669.3 P212121 295 MoKa tube EN CAD4 2791 26.3 0.064 2784 291 XCAD4 0.099 0.079 1.000
m157-m158 Morales C12H19FeLa 612.1 P-1 293 MoKa tube S P3/PC 7294 25.0 0.058 3656 287 XSCANS 0.061 0.155 0.988
m159-m161 Clegg C66H72I3N1 1669.0 R-3 160 MoKa tube B SMART 1K CCD 15672 26.0 0.020 2945 137 SAINT 0.022 0.047 0.963
m162-m164 Ohba C50H34CoN5 795.8 P-1 297 MoKa R AFC-7R 7652 25.0 0.014 7257 559 TEXSAN 0.175 0.900
m165-m166 Bell C631H45O9P 1342.1 P21/n 173 MoKa tube B CCD 35892 27.5 0.072 12757 703 SHELXTL 0.093 0.106 0.991
o350-o352 Jeske C9H11ISe 325.0 P21/c 178 MoKa tube Nicolet P3 5385 25.0 0.069 1811 103 XDISK 0.059 0.109 0.993
o353-o354 Munshi C9H6OS 162.2 Pc 293 MoKa tube B SMART CCD 3453 25.0 0.037 1304 100 SAINT 0.031 0.072 0.997
o355-o356 Vasuki C29H37.92N 471.9 P212121 293 CuKa tube EN CAD-4 2530 67.9 0.026 2472 316 MolEN 0.050 0.113 0.896
o357-o358 Usman C20H14ClNO 335.8 P21/n 183 MoKa tube S SMART CCD 8993 25.0 0.087 2911 218 SAINT 0.094 0.131 0.989
o359-o361 Sawatzki C12H21NO4 243.3 P21/c 123 MoKa tube N KappaCCD 18786 28.3 0.032 3392 155 HKL DENZO and 0.046 0.104 0.990
o362-o363 Evain C6H8N2O2S2 204.3 P21/c 298 MoKa tube N CAD-4 and Stoe 25270 35.1 0.061 3729 110 JANA2000 0.087 0.110 1.000
o364-o365 Jacquot-Rou C19H15ClN2 306.8 P-1 293 MoKa tube EN CAD-4 6954 26.3 0.013 6557 397 PROCESS in Mo 0.084 0.099 1.000
o366-o367 Lehmler C12H6Cl2O2 253.1 P21/c 145 MoKa tube N KappaCCD 3600 25.0 0.047 1891 145 DENZO-SMN 0.082 0.083 1.000
o368-o370 Sun C7H10N4O3 198.2 P21/n 173 MoKa tube B CCD 5481 25.0 0.031 1554 139 SAINT 0.053 0.125 0.994
o371-o373 Kliegel C26H32B2N2 458.2 P21/n 294 CuKa tube R AFC-6S 5565 0.025 3637 329 TEXSAN 0.069 0.059
o374-o376 Hokelek C22H26N2O2 414.6 P21/n 293 MoKa tube EN TurboCAD4 4283 26.3 0.013 4016 254 XCAD4 0.091 0.217 1.000
o377-o379 Usman C22H17NO3 343.4 P21/n 183 MoKa tube S SMART CCD 10245 28.3 0.074 4192 293 SAINT 0.070 0.135 0.965
o380-o381 Ajees C14H9N3S 251.3 P21/c 293 CuKa tube EN CAD-4 2277 69.9 0.031 2128 164 CAD-4 Softwar 0.048 0.128 0.961
o382-o384 ulku C12H9Br5 552.7 P21/n 301 MoKa CAD-4 EXPRESS 2897 26.0 0.071 2761 155 0.149 1.000
o385-o387 Wang C19H14F3N3 421.4 P21/c 298 MoKa tube B SMART 1000 CCD 7715 25.0 0.025 3338 293 SAINT 0.061 0.117 1.000
o388-o389 Elotmani C13H12N4O1 240.3 C2/c 293 MoKa tube N KappaCCD 15817 26.0 0.048 2201 166 DENZO and SCA 0.048 0.112 0.976
o390-o392 Kruszynski C13H13OP 216.2 Pc 293 CuKa tube EN CAD-4 2329 74.9 0.000 2329 138 CAD-4 Softwar 0.063 0.163 1.001
o393-o395 Kliegel C35H54B6N3 765.7 P-1 173 MoKa tube Quantum CCD 19307 0.038 8500 527 TEXSAN 0.073 0.102
o396-o398 Alagar C9H15NO6S 265.3 P21/c 293 CuKa tube EN CAD-4 2298 68.0 0.013 2192 157 CAD-4 Softwar 0.045 0.129 0.888
o399-o401 Angelov C8H14NO2P 187.2 Pca21 193 MoKa tube B PLATFORM/SMART 5403 26.4 0.054 1882 115 SHELXTL 0.053 0.092 1.000
o402-o404 Langer C24H26O8 442.5 P21 183 MoKa tube S SMART CCD 16818 30.5 0.054 3326 319 SAINT and SAD 0.075 0.149 0.999
o405-o406 Nather C14H20N4O4 308.3 P21/n 170 MoKa tube Stoe IP 13199 28.1 0.032 3425 206 IPDS Program 0.048 0.123 0.959
o407-o408 Nather C16H24N4O4 336.4 Pbca 170 MoKa tube Stoe IP 18252 28.1 0.055 4071 224 IPDS Program 0.050 0.128 0.992
o409-o410 Nather C14H20N4O4 308.3 P-1 170 MoKa tube Stoe IP 6641 28.1 0.038 3323 206 IPDS Program 0.047 0.124 0.966
o411-o412 Nather C16H24N4O4 336.4 Pbca 170 MoKa tube Stoe IP 27222 28.1 0.038 4171 224 IPDS Program 0.046 0.111 0.992
o413-o414 Nather C14H20N4O4 308.3 P-1 170 MoKa tube Stoe IP 8266 28.1 0.035 3499 206 IPDS Program 0.049 0.121 0.987
o415-o416 Nather C16H24N4O4 336.4 P-1 170 MoKa tube Stoe IP 15745 28.1 0.033 7846 442 IPDS Program 0.074 0.140 0.968
o417-o418 Sun C30H32N2O6 516.6 P21/c 293 MoKa tube B CCD 3224 25.0 0.047 2336 173 XPREP 0.051 0.135 1.000
o419-o421 Williams C18H14ClP 296.7 P-1 295 MoKa R RA R AFC-7R 4248 27.5 0.021 3483 181 TEXSAN 0.070 0.115 0.999
o422-o425 Ansari C21H19NOS 333.4 P21/c 170 MoKa tube N KappaCCD 23647 27.6 0.088 7825 456 SCALEPACK 0.183 0.148 0.986
o426-o428 Stanley C10H8ClN3O 301.7 P21/a 293 MoKa tube EN CAD-4 2238 25.0 0.018 2136 198 MolEN 0.104 0.182 0.999
o429-o430 Cabeza C13H12BF4N 269.1 P21/n 200 CuKa tube N KappaCCD 11038 68.4 0.065 2306 220 HKL DENZO and 0.082 0.196 0.971
o431-o432 Patel C18H11N5 297.3 P21/c 293 MoKa tube EN CAD-4 2839 25.0 0.041 2600 208 MolEN 0.119 0.185 1.000
o433-o435 Langer C18H22O6 334.4 P21/c 183 MoKa tube S SMART CCD 15921 26.6 0.077 3375 244 SAINT and SAD 0.092 0.175 0.992
o436-o437 Haberecht C12H22Si2 222.5 P21/n 173 MoKa tube Stoe IPDS II two- 9295 29.4 0.044 1955 64 X-AREA 0.044 0.092 0.992
o438-o439 Jia C16H15NO2 253.3 Pbca 294 MoKa tube B CCD 17598 27.7 0.102 3172 174 SHELXTL 0.192 0.164 0.995
o440-o441 Cook C17H27O7P 374.4 C2/c 296 MoKa tube B SMART 1K CCD 11051 27.0 0.049 4155 232 SAINT-Plus 0.108 0.170 0.981
o442-o444 Okabe C11H18O7 262.3 P-1 296 MoKa R AFC5R 3296 27.5 0.016 3117 163 TEXSAN 0.185 1.000
o445-o446 Coles C27H48 372.7 P21 120 MoKa N FR591 R N KappaCCD 15024 27.5 0.076 9278 498 DENZO and COLLECT 0.137 0.993
o447-o449 Baddeley C14H19NO10 361.3 P212121 120 MoKa tube N KappaCCD 10467 27.5 0.054 2217 238 DENZO and COL 0.045 0.093 0.992
o450-o451 Merz C16H26 218.4 P212121 213 MoKa tube B AXS CCD 1000 6337 25.0 0.037 1941 145 SAINT 0.075 0.124 0.773
o452-o453 Evain C13H16N2O3 280.3 P21/c 293 MoKa tube N CAD-4 and Stoe 28762 30.1 0.079 4119 173 JANA2000 0.100 0.102 1.000
o454-o455 Velde C44H38O4 630.7 P-1 293 MoKa tube EN CAD-4 5886 25.0 0.021 2943 274 CAD-4 Softwar 0.060 0.102 0.998
o456-o457 Bryant C14H18Cl2N 317.2 R-3 150 MoKa tube N KappaCCD 4231 27.5 0.020 1640 97 DENZO-SMN 0.028 0.068 0.985
o458-o460 Meszko C17H18N2 250.3 Pbca 293 MoKa tube Kuma KM-4 18864 25.6 0.100 2569 179 KM-4 Software 0.072 0.129 0.999
o461-o464 Kruszynski C19H21N3O2 323.4 P21/c 291 MoKa tube Kuma KM-4 4189 27.6 0.059 3892 221 DATAPROC 0.248 0.273 0.961
o465-o466 Lee C10H14ClNO 376.0 P21/c 294 MoKa tube B CCD 10836 27.6 0.083 3726 174 SHELXTL 0.168 0.133 0.993
o467-o468 Usman C27H21N3 387.5 P21/c 213 MoKa tube S SMART CCD 9600 25.0 0.098 3659 274 SAINT and SAD 0.116 0.137 0.986
o469-o470 Maderova C6H9NO6 191.1 P21/n 120 MoKa tube Kuma KM-4 4C \k-a 2969 25.1 0.036 1368 137 KM-4 CCD Syst 0.041 0.082 1.000
o471-o472 Chen C21H25IN2O 448.3 P-1 293 MoKa tube EN CAD-4 3613 25.0 0.030 3377 231 TEXSAN 0.051 0.103 0.990
E58 Part 5
i32-i33 Bali Co2O7P2 291.8 P21/c 173 MoKa tube Stoe IPDS II two- 7237 29.9 0.048 1389 101 X-AREA 0.026 0.049 0.989
i34-i36 Sun H46Na4NiO5 1522.4 P-1 298 MoKa tube EN CAD-4 9182 26.0 0.027 8594 748 XCAD4 0.065 0.100 0.994
i37-i38 Bali AgBr2H36N9 878.6 I-42d 173 MoKa tube Stoe IPDS-II two- 23871 29.6 0.049 2019 76 X-AREA 0.058 0.179 0.992
i39-i40 Lewis Ni0.26SbV 188.3 P63/mmc 295 MoKa tube B Platform/SMART 1099 32.5 0.045 78 8 SAINT 6.02 0.058 0.115 0.936
m167-m168 Deschamps C6H14NNaO5 235.2 Pbca 93 MoKa tube B SMART1000 CCD 14538 28.3 0.027 2516 135 SAINT 0.040 0.089 0.990
m169-m171 Ohba C45H32Cl2C 820.6 P21/a 297 MoKa R AFC-7R 9711 25.0 0.055 6636 505 TEXSAN 0.317 1.000
m172-m175 Sang C6H16N4O10 387.2 P21/n 293 MoKa tube SMART5.0 CCD 6656 26.0 0.029 2966 239 SAINT 0.066 0.102 0.995
m176-m177 Brooks C3H3F3LiNO 197.1 P21/c 173 MoKa tube S CCD 6487 27.5 0.022 1731 111 SAINT) 0.022 0.061 0.990
m178-m180 Howie C43H36Cl2N 870.0 P21/c 120 MoKa EN FR591 EN KappaCCD 38219 27.5 0.098 8764 469 DENZO and COL 0.070 0.092 0.994
m181-m182 Deivaraj C59H53CuOP 1029.6 C2/c 293 MoKa tube B SMART CCD 24925 25.0 0.048 9137 536 SAINT 0.120 0.178 0.980
m183-m185 Ohba C46H34CoN5 763.7 P-1 297 MoKa R AFC-7R 4686 27.5 0.008 4233 269 TEXSAN 0.113 1.000
m186-m188 Tong C26H36CoN1 703.6 P21/a 298 MoKa tube S R3m 4C 4723 29.0 0.051 4433 243 XSCANS 0.086 0.179 0.998
m189-m190 Cabeza C32H36Ru2S 751.0 P-1 293 MoKa tube N CAD-4 3022 26.0 0.036 2855 175 REFLEX 0.095 0.105 0.999
m191-m193 Lee C26H32Cl2F 573.3 P21/n 298 MoKa tube EN CAD-4 MACH3 5637 26.0 0.029 5352 334 XCAD4 0.052 0.120 0.957
m194-m196 Beer C42H52O4P2 1070.0 P21/c 183 MoKa tube B SMART CCD 40815 30.0 0.048 14333 524 SHELXTL 0.075 0.109 0.998
m197-m199 Sheth C41H38Na2O 720.7 P21/c 173 MoKa tube B CCD 26991 25.1 0.060 6472 487 SAINT 0.120 0.225 0.992
m200-m202 Ejsmont C36H32Cr2N 894.1 C2/c 293 MoKa tube Kuma KM-4 9494 25.1 0.024 7062 523 KM-4 Software 0.081 0.177 0.960
m203-m205 Li C10H10AgCl 464.4 P21/c 298 MoKa tube S R3m 4C 3723 27.5 0.024 3472 216 XSCANS 0.083 0.093 0.979
m206-m208 Chantraprom C50H70Cl2H 1483.2 P-1 293 MoKa tube S SMART CCD 6734 25.0 0.110 4735 330 SAINT 0.124 0.238 0.962
m209-m211 Wang C10H23IN6N 461.0 P21/n 293 MoKa tube CCD 9823 27.0 0.018 3673 192 SAINT-Plus 0.026 0.051 0.983
m212-m214 Dhanuskodi C6H8BLiO6 193.9 P21 293 MoKa tube EN CAD-4 1801 25.0 0.020 1655 258 MolEN 0.035 0.079 0.999
m215-m216 Therrien C38H76N2O9 756.0 P-1 223 MoKa tube Stoe IP Diffracti 17277 25.9 0.127 7920 471 INTEGRATE 0.145 0.183 0.932
m217-m219 Zhu C8H36CuN10 464.0 C2/c 173 MoKa tube R RAXIS RAPID IP 2381 27.5 0.032 2381 173 MSC/AFC Contr 0.038 0.051 0.996
m220-m222 Howie C4H7I3O2Sn 586.5 P21/c 120 MoKa EN FR591 EN KappaCCD 20814 25.0 0.107 5138 184 DENZO and COL 0.065 0.168 0.919
m223-m225 Kooijman C62H64Cu2N 1216.3 P21/c 150 MoKa RA N KappaCCD 58094 27.5 0.095 6483 375 DENZO 0.095 0.157 0.998
m226-m227 Okabe C16H21LaN2 588.3 P21/a 296 MoKa R AFC-5R 5275 27.5 0.025 4811 289 TEXSAN 0.109 1.000
m228-m230 Wu C8H15O15Sm 501.6 P41212 293 MoKa tube S SMART CCD 3367 25.0 0.025 1205 111 SMART and SAI 0.029 0.072 0.998
m231-m233 Tatar C23H30I2N4 804.4 Cc 295 MoKa tube EN CAD-4 3420 27.7 0.000 3420 327 XCAD4 0.041 0.086 1.000
m234-m236 Gao C6H21Cl3La 524.5 P212121 293 MoKa tube S P4 3172 25.0 0.074 3172 196 SHELXTL 0.042 0.086 1.000
m237-m238 Li C52H44Cl2N 1050.3 P21/n 293 MoKa tube EN CAD-4 4029 25.0 0.056 4029 304 TEXSAN 0.037 0.106 0.991
m239-m241 Guo C24H28N4S4 566.1 Pbca 193 MoKa tube B SMART CCD 40758 30.0 0.038 7496 301 SHELXTL 0.054 0.112 0.999
m242-m244 Wang C14H24N4Ni 493.8 Cmma 298 MoKa tube B CCD 3062 25.0 0.029 937 73 SAINT 0.042 0.076 0.996
o473-o475 Kliegel C34H42B2N2 564.3 P21/n 294 CuKa tube R AFC-6S 3295 0.022 2082 191 TEXSAN 0.069 0.051
o476-o477 Baddeley C62H62O17 1079.1 P21212 150 MoKa EN FR591 EN KappaCCD 16774 26.4 0.078 3235 363 DENZO and COL 0.074 0.101 0.997
o478-o480 Rajagopal C7H11NO6 205.2 C2/c 123 MoKa tube B SMART CCD 9646 26.4 0.032 1897 128 SAINT-NT 0.043 0.104 0.452
o481-o483 Kruszynski C6H3BrN2O4 247.0 Pccn 290 MoKa tube Kuma KM4-CCD 16718 25.1 0.046 1401 119 CrysAlis RED 0.027 0.062 0.858
o484-o486 Marciniak C14H13IN2 336.2 P21/c 293 MoKa BSW tube DARCH-1 2586 27.5 0.043 2586 157 DARCH softwar 0.046 0.148 0.857
o487-o488 Marciniak C12H9BrN2 261.1 P-1 293 MoKa BSW tube DARCH-1 2240 27.4 0.021 2240 137 DARCH softwar 0.035 0.111 0.921
o489-o491 Marciniak C14H13BrN2 305.2 P31 293 MoKa BSW tube DARCH-1 1416 27.4 0.021 1416 168 DARCH softwar 0.025 0.068 0.951
o492-o494 Usman C22H17NO3 343.4 P21/n 213 MoKa tube S SMART CCD 9733 28.4 0.093 4139 293 SAINT and SAD 0.116 0.172 0.956
o495-o497 Kresge C8H6O3 150.1 Pbca 150 MoKa tube N KappaCCD 7696 27.5 0.028 1535 104 DENZO-SMN 0.045 0.106 0.992
o498-o500 Angelov C11H17NO6P 321.2 Cmca 193 MoKa tube B PLATFORM/SMART 7136 26.4 0.065 1604 141 SHELXTL 0.068 0.110 0.997
o501-o503 Delgado C18H12O3 276.3 Cc 293 MoKa tube B SMART CCD 8380 28.3 0.035 1543 190 SAINT 0.043 0.084 0.934
o504-o505 Krishnakuma C30H20Cl2O 547.4 P21/c 293 MoKa tube EN CAD-4 4835 25.0 0.014 4587 414 CAD-4 Softwar 0.075 0.116 0.998
o506-o508 Stomberg C21H22O6 370.4 C2/c 296 MoKa tube S SMART CCD 23515 30.5 0.037 5565 272 SAINT and SAD 0.082 0.191 0.996
o509-o510 Kliegel C5H12ClNO 137.6 P21/c 173 MoKa tube Quantum CCD 6650 25.6 0.029 1526 81 d*TREK 0.047 0.061 89.000
o511-o513 Usman C26H17NO3 391.4 P-1 233 MoKa tube S SMART CCD 9930 25.5 0.068 3529 273 SAINT 0.094 0.210 0.955
o514-o516 Liu C9H8N2OS4 288.4 P21/n 293 MoKa tube B P4 3815 27.5 0.018 2889 146 XSCANS 0.047 0.141 1.000
o517-o518 Ohba C19H21NO3 311.4 P21/a 250 CuKa R AFC-7R 4079 60.0 0.025 3176 209 TEXSAN 0.156 0.945
o519-o522 Felloni C12H12N6O7 352.3 P21/n 150 MoKa tube B SMART1000 CCD 10487 27.5 0.040 3449 235 SAINT 0.076 0.116 0.909
o523-o525 Higgs C2H7NO2S 109.2 P21/c 150 MoKa tube B CCD 2683 26.4 0.028 999 84 SHELXTL 0.039 0.083 0.988
o526-o527 Pang C21H16O3 316.3 P21/n 293 MoKa tube B SMART1000 CCD 8639 26.4 0.032 3166 218 SAINT-Plus 0.096 0.178 0.996
o528-o529 Patra C20H18N4 314.4 P-1 110 MoKa tube N KappaCCD 1775 25.0 0.000 1775 110 DENZO 0.077 0.153 0.953
o530-o531 Patra C15H13N3O2 267.3 P21/c 110 MoKa tube N KappaCCD 5274 27.9 0.030 3061 233 DENZO 0.073 0.114 0.995
o532-o534 Kooijman C22H27F2NO 423.5 P1 150 MoKa RA N KappaCCD 21160 25.3 0.084 4617 549 DENZO 0.083 0.095 0.948
o535-o537 Ajees C17H14O 234.3 P21/c 293 CuKa tube EN CAD-4 2727 71.9 0.079 2486 165 CAD-4 Softwar 0.253 0.197 0.958
o538-o539 Lai C13H14N4S 258.3 Pc 223 MoKa tube B SMART CCD 5174 30.0 0.022 3298 164 SHELXTL 0.041 0.111 0.997
o540-o541 Fagnou C16H13BrO2 317.2 P212121 150 MoKa tube N KappaCCD 6770 25.0 0.085 2317 177 DENZO-SMN 0.058 0.085 0.998
o542-o543 Lautens C38H40BrNO 686.6 P1 150 MoKa tube N KappaCCD 19157 25.0 0.081 10534 836 DENZO-SMN 0.082 0.150 0.995
o544-o545 Guo C52H58N2P2 773.0 P212121 294 MoKa tube B CCD 31371 27.6 0.105 10453 511 SHELXTL-NT 0.216 0.102 0.996
o546-o547 Margraf C4H14ClOP 144.6 C2/c 173 MoKa tube Stoe IPDSII two-c 3076 25.2 0.066 1407 72 X-AREA 0.084 0.130 0.915
o548-o550 Hazazi C24H20Cl1N 433.9 P21/n 293 MoKa tube N KappaCCD 15172 26.5 0.071 4363 273 DENZO 0.095 0.130 0.988
o550-o552 Bond C7H9N 107.2 P21/n 150 MoKa tube B SMART APEX 4515 28.9 0.030 1540 78 SAINT 0.066 0.146 0.918
o553-o554 Golden C7H11NO4 173.2 P21/n 300 MoKa tube B CCD 5292 28.3 0.022 2044 115 SAINT-Plus 0.078 0.139 0.952
o555-o556 Jones C16H10Cl2S 401.4 Pbca 133 MoKa tube Stoe STADI-4 2845 25.0 2845 199 REDU4 0.058 0.140 0.943
o557-o559 Jones C23H28N2O5 412.5 P212121 143 MoKa tube Stoe STADI-4 2895 27.5 0.000 2895 281 REDU4 0.083 0.110 0.998
o560-o561 Light C8H12O4 172.2 P21 120 MoKa B N FR591 B-N KappaCCD 3809 25.0 0.069 771 112 DENZO COLLECT 0.052 0.069 0.992
o562-o564 Gilardi C10H4Cl8O2 439.7 P21/n 98 MoKa tube B CCD 11732 28.3 0.040 3575 192 SHELXTL 0.033 0.064 0.979
o565-o567 Okabe C13H12O5 248.2 C2/c 296 MoKa R AFC-5R 3112 27.5 0.057 2675 166 TEXSAN 0.184 1.000
o568-o569 Chen C16H17NO 239.3 P212121 294 MoKa tube B CCD 9481 27.6 0.072 1823 166 SHELXTL-NT 0.107 0.065 0.995
o570-o572 Dokhane C16H19ClN2 338.8 Cc 293 MoKa tube EN MACH3 4979 30.0 0.068 4979 405 WinGX 0.104 0.117 0.995
o573-o574 Barnes C6H7N3O3 169.2 P212121 298 MoKa EN FR591 EN KappaCCD 5109 24.9 0.030 774 119 DENZO and COL 0.049 0.111 0.990
o575-o577 Liantonio C16H8F4I2N 558.0 I2/a 290 MoKa tube B SMART-APEX CCD 15718 27.5 0.018 7796 498 SAINT 0.057 0.094 0.491
o578-o579 Rieger C16H16S2 272.4 P21/c 150 MoKa tube S SMART 1346 25.7 0.000 1346 83 SAINT 0.049 0.121 0.990
o580-o581 Oloo C17H12Cl2O 303.2 P21/c 193 MoKa tube B SMART1000 CCD 8415 25.8 0.047 2668 181 SAINT 0.050 0.082 0.992
o582-o583 Oloo C17H14Cl2O 321.2 C2/c 123 MoKa tube EN CAD-4 4488 28.0 0.010 3536 191 Xtal3.7 0.033 0.075 1.000
o584-o585 Ohba C14H14N4O8 366.3 P-1 250 CuKa R AFC-7R 3422 65.0 0.047 3050 270 TEXSAN 0.143 0.948
o586-o587 Ohba C15H15N3O8 365.3 P-1 250 CuKa R AFC-7R 3648 60.0 0.076 3025 256 TEXSAN 0.118 0.947
o588-o589 Ohba C17H19N3O8 393.4 P-1 250 CuKa R AFC-7R 4022 65.0 0.063 3362 266 TEXSAN 0.125 0.884
E58 Part 6
i41-i43 Gordon H11NO11P3Z 457.4 P-1 293 MoKa tube B SMART 1000 CCD 6425 32.5 0.013 4274 161 SMART 0.033 0.074 0.959
i44-i48 Mrak GaH4NO8P2Z 343.1 C2/c 150 MoKa tube N KappaCCD 4483 30.0 0.011 2287 131 HKL DENZO and 0.024 0.059 0.997
i49-i51 Johnston Ba2Cl2Co1O 658.4 Pnnm 293 MoKa tube B SMART1000 CCD 3658 32.5 0.053 902 39 SAINT 0.046 0.115 0.989
i52-i55 Johrendt Ba8PdSe18. 3120.9 P-1 293 MoKa tube Stoe IPDS 17825 28.0 0.043 9142 293 X-RED 0.081 0.077 28.040
m245-m247 Janca C7H17N3O2P 408.8 P21/c 120 MoKa tube Kuma KM-4 CCD wit 9041 25.0 0.078 2636 159 KM-4 Software 0.080 0.110 0.940
m248-m250 Kato C35H32F18N 1431.8 C2/c 296 MoKa R AFC-7R 6172 27.5 0.038 3897 299 TEXSAN' 0.174 1.000
m251-m253 ulku C31H34Br2N 778.5 P21/c 295 MoKa EN CAD-4 6102 25.6 0.019 5746 421 MolEN 0.101 1.000
m254-m256 Bremner C8H34As6N1 1551.8 P-1 293 MoKa tube B SMART1000 CCD 8831 30.1 0.014 6216 308 SMART 0.031 0.064 0.973
m257-m259 Howie C10H18I2O4 574.7 C2/c 120 MoKa EN FR591 EN KappaCCD 5078 27.5 0.060 1898 79 DENZO and COL 0.070 0.077 0.467
m260-m261 Wu C24H20Cl2C 646.5 P-1 298 MoKa R AFC-7S 5748 26.0 0.023 5495 352 TEXSAN 0.070 0.099 1.000
m262-m264 Breneman C10H10CuN3 346.7 P21/c 295 MoKa EN CAD-4 2251 25.0 0.010 2165 187 MolEN 0.070 0.998
m265-m266 Ito C6H9Fe1O3S 377.4 P21/n 295 MoKa R AFC-5S 3585 27.5 0.031 2467 145 TEXSAN 0.034 1.000
m267-m268 Lensink C19H20Cl1N 409.8 P21/n 149 MoKa tube S CCD 6268 26.3 0.062 2551 223 SAINT and SAD 0.086 0.097 0.729
m269-m271 Ovalle-Marr C42H38N4O4 728.1 P21/n 293 MoKa tube S P4/PC 3334 25.0 0.032 3085 245 XSCANS 0.076 0.086 0.999
m272-m274 Zhu C8H20N10Ni 315.1 P21/c 173 MoKa tube R R-AXIS RAPID IP 1564 27.5 0.039 1467 102 SHELXS97 0.042 0.072 0.983
m275-m277 Retboll C43H62OP2P 763.3 P21/a 200 MoKa tube N KappaCCD 77106 0.053 7970 430 SCALEPACK and 0.055 0.049
m278-m280 Ramirez C13H24O4Sn 363.0 Pccn 223 MoKa tube N KappaCCD 5771 27.5 0.016 1727 118 SCALEPACK 0.033 0.066 0.969
m281-m283 Chandler C12H25Cl2N 436.9 P-1 173 MoKa tube N KappaCCD 7194 27.4 0.016 4031 257 SCALEPACK 0.021 0.048 0.976
m284-m286 Suh C18H15N6Nd 747.6 P-1 293 MoKa B P4 6904 27.5 0.026 5757 424 SHELXTL 0.077 0.994
m287-m289 Okabe C42H34N4O1 904.6 P-1 296 MoKa R AFC-5R 9184 27.5 0.089 8754 550 TEXSAN 0.245 1.000
m290-m292 Brahadeeswa C12H24N2Na 466.3 P21/c 123 MoKa tube R AFC7S 4C 5184 40.5 0.016 4641 370 TEXSAN 0.045 0.101 1.000
m293-m295 Shi C12H10AgN5 380.1 C2/c 293 MoKa tube B P4 1490 25.0 0.020 1214 104 SHELXTL 0.052 0.145 0.998
m296-m297 Lensink C18H17Cl2N 430.2 P21/c 163 MoKa tube S CCD 4699 26.3 0.047 2932 284 SAINT and SAD 0.120 0.181 0.816
m298-m300 Cotton C110H122Mo 2252.0 P21/c 213 MoKa tube 29479 25.1 0.069 9046 626 SAINT 0.112 0.166 0.995
m301-m303 Kuan C34H64Cl12 1898.4 P21/c 193 MoKa tube B AXS SMART CCD 25440 30.1 0.051 9084 316 SHELXTL 0.065 0.091 0.989
m304-m306 Ranjbar C28H28Cd2N 997.3 P21/c 110 MoKa tube B SMART 1000 CCD 18834 30.1 0.035 4676 261 SAINT-Plus 0.045 0.091 0.995
m307-m309 Nandhini C3H7CdCl2N 272.4 Pna21 293 MoKa tube EN CAD-4 1727 25.0 0.037 673 83 CAD-4 Softwar 0.033 0.081 0.987
m310-m312 Reynoso-Paz C33H42CuF6 852.4 P212121 91 MoKa tube B SMART 1000 50497 31.5 0.033 11771 482 SAINT 0.035 0.064 0.973
m313-m315 Lee C26H30Cl4F 642.2 P21 298 MoKa tube EN MACH-3 3094 26.0 0.034 2905 348 XCAD4 0.120 0.102 1.000
o590-o591 Bats C8H5F6NO4S 357.3 Fdd2 143 MoKa tube S SMART CCD 13534 34.5 0.029 2529 98 SAINT 0.031 0.069 0.962
o592-o595 Chan-Yu-Kin C7H6Cl2O2S 225.1 P21/c 296 MoKa tube R AFC-5S 3501 25.1 0.018 3305 218 PROCESS in TE 0.074 0.088 1.000
o596-o597 Hayman C21H20N2O5 380.4 P21 149 MoKa tube B CCD 3956 24.7 0.055 1765 255 SHELXTL 0.044 0.086 0.969
o598-o599 Guo C44H58N2P2 676.9 P21 294 MoKa tube B CCD 13673 27.6 0.055 8354 433 SHELXTL-NT 0.111 0.155 0.994
o600-o602 Kansikas C20H20OS2 340.5 P21/c 193 CuKa tube EN CAD-4 5817 67.8 0.065 2995 208 WINGX 0.049 0.099 0.942
o603-o605 Cox C4H7NO2 101.1 P21/n 120 MoKa EN KappaCCD 19544 30.2 0.187 3745 190 DENZO and COL 0.247 0.181 0.804
o606-o608 Castro-Mend C31H45BrO5 577.6 P212121 300 MoKa B P4 7094 26.3 0.038 5918 345 XSCANS 0.112 0.139 0.998
o609-o611 Caldas C14H18O10 346.3 P212121 120 MoKa tube N KappaCCD 0.000 1943 225 HKL SCALEPACK 0.048 0.129
o612-o614 Kazak C17H16O3 268.3 P-1 293 CuKa tube EN CAD-4 2926 74.2 0.000 2926 185 MolEN 0.069 0.158 1.000
o615-o617 Gilardi C13H13Cl5O 410.5 P21/n 294 MoKa tube B P4 3371 26.0 0.000 3371 203 SHELXTL 0.054 0.092 1.000
o618-o619 Tang C18H14Br2C 477.0 Pbca 93 MoKa tube B CCD 20768 28.3 0.042 4074 209 SAINT 0.036 0.045 0.985
o620-o622 Palusiak C18H20O5 316.3 P212121 293 CuKa tube R AFC-5S 6547 72.6 0.024 3063 217 TEXSAN' 0.045 0.109 0.970
o623-o625 Moreno-Fuqu C12H12N2O5 264.2 P-1 293 MoKa tube R AFC-7S 2250 25.0 0.015 2091 181 TEXSAN 0.048 0.127 0.999
o626-o628 Coles C16H10O8 330.2 P21/c 120 MoKa N KappaCCD 16495 27.4 0.122 2965 221 DENZO and COLLECT 0.203 0.973
o629-o630 Schlaf C20H22O4 326.4 P21/c 298 MoKa tube N CAD-4 4180 27.5 0.010 3909 220 HELENA/PLATON 0.084 0.121 1.000
o631-o633 Gravestock C8H12N2O2 168.2 P-1 295 MoKa EN CAD-4 1088 25.0 0.023 879 55 XCAD 0.230 1.000
o634-o636 Drebushchak C2H5NO2 75.1 P21 294 MoKa tube Stoe STADI4 4C 6548 37.5 0.039 894 67 X-RED 0.030 0.076 1.000
o637-o639 Britton C8H4N2 128.1 P-1 173 MoKa tube S SMART 1941 27.5 0.026 747 54 SAINT 0.061 0.133 0.982
o640-o641 Yuan C18H20N4 292.4 P21212 293 MoKa tube B CCD 4258 25.0 0.051 1473 100 SHELXTL 0.059 0.143 1.000
o642-o643 Kennedy C11H13NO 175.2 P21 123 MoKa tube N KappaCCD 6426 27.5 0.051 1163 125 DENZO and COL 0.086 0.095 0.994
o644-o645 Robin C9H12N2O2 180.2 Pbca 293 MoKa tube 12674 26.3 0.035 1693 118 DENZO and SCA 0.089 0.225 0.912
o646-o648 Ramaswamy C5H13N3O5 195.2 P21 293 MoKa tube EN CAD-4 1295 25.0 0.032 838 119 CAD-4 Softwar 0.039 0.090 0.995
o649-o651 Sethuraman C13H12N2OS 276.4 P212121 293 MoKa tube S SMART CCD 7639 28.4 0.098 1819 168 SAINT 0.090 0.160 0.973
o652-o655 Allan C9H18 126.2 P21/c 150 MoKa B SMART APEX 5107 24.7 0.040 1950 142 SAINT 0.237 0.906
o656-o658 Usman C16H16N2OS 284.4 P21/c 213 MoKa tube S SMART CCD 8741 28.3 0.084 3564 219 SAINT 0.080 0.148 0.977
o659-o660 Vijayalaksh C27H20O6 440.4 P21/c 293 CuKa tube EN-CAD-4 3901 67.9 0.019 3701 303 MolEN 0.059 0.106 0.990
o661-o662 Cox C9H9ClO 168.6 Fdd2 120 MoKa N KappaCCD 4434 27.5 0.082 1292 127 DENZO and COL 0.053 0.086 0.846
o664-o665 Lough C18H15NO3S 325.4 Pbcn 150 MoKa tube N Kappa-CCD 10898 25.1 0.052 2753 213 DENZO-SMN 0.060 0.129 0.991
o666-o667 Crundwell C10H8O2S2 224.3 P21/c 294 MoKa tube S SMART P3/512CCD 3645 21.7 0.038 1183 127 SHELXTL-Plus 0.059 0.173 0.997
o668-o670 Crundwell C10H8O2S2 224.3 P21/c 293 MoKa tube S SMART P3/512CCD 11939 24.7 0.059 3412 269 SHELXTL-Plus 0.116 0.194 0.998
o671-o672 Chen C24H30N2O2 378.5 P21/c 294 MoKa tube B CCD 11299 27.5 0.083 5141 258 SHELXTL-NT 0.202 0.082 0.989
o673-o674 Coles C11H18O2 182.3 P21/n 150 MoKa N KappaCCD 7926 27.5 0.058 2262 123 DENZO an COLLECT 0.123 0.978
o675-o677 Nandhini C32H28N2O 456.6 P21/c 293 CuKa tube S SMART CCD 9728 58.9 0.098 3425 317 SAINT 0.054 0.118 0.937
o678-o679 Lynch C12H11NO4 233.2 P21/c 150 MoKa B N FR591 B-N KappaCCD 5131 27.5 0.041 2227 163 DENZO and COL 0.085 0.133 0.919
o680-o681 Lynch C13H10N2O2 226.2 P21/n 293 MoKa B N FR591 B-N KappaCCD 4925 27.4 0.094 2460 159 DENZO nd COLL 0.209 0.201 0.974
o682-o684 Ajees C30H48O5 488.7 P212121 293 CuKa tube EN CAD-4 2962 71.9 0.000 2962 317 CAD-4 Softwar 0.162 0.164 0.991
o685-o686 Jeyabharath C39H38N2O5 614.7 P-1 293 MoKa tube S SMART CCD 9073 25.0 0.059 5638 416 SAINT 0.138 0.182 0.972
o687-o688 Oloo C18H14O3 278.3 P21/c 193 MoKa tube B SMART CCD 6165 25.9 0.078 2571 191 SAINT 0.092 0.154 0.977
o689-o690 Oloo C22H22O3 334.4 P-1 150 MoKa tube EN CAD-4 3385 25.0 0.022 3025 226 Xtal3.7 0.166 0.158 0.998
o691-o693 Nissa C28H27NO5 457.5 P21/c 293 MoKa tube EN CAD-4 4342 25.0 0.079 4144 310 XCAD4 0.138 0.200 0.967
o694-o695 Nassar C15H20N6S 316.4 P21/c 291 MoKa tube S P4/PC 2925 25.0 0.044 2777 208 XSCANS 0.111 0.090 1.000
o696-o698 Eriksson C12H7Br3O 406.9 Pbca 293 MoKa tube Stoe IPDS 36351 26.0 0.103 2513 145 INTEGRATE in 0.089 0.044 0.992
o699-o700 Barnes C16H14N4 262.3 P21/c 150 MoKa EN FR591 N KappaCCD 7750 27.5 0.063 1533 91 DENZO and COL 0.097 0.141 0.996
o701-o702 Laavanya C21H19NS 317.4 P21/n 150 MoKa tube S SMART 1K CCD 10671 28.3 0.087 4168 230 SAINT 0.149 0.131 0.981
o703-o705 Barnes C21H15Br2 427.2 P21/n 150 MoKa EN FR591 EN KappaCCD 11791 27.1 0.103 3718 208 DENZO and COL 0.088 0.148 0.974
E58 Part 7
i56-i58 Szabo C3KO10U 473.2 P21/n 297 MoKa tube N KappaCCD 16994 27.6 0.068 2125 145 DENZO and SCA 0.023 0.042 0.992
i59-i61 Johnston MnO5Te2 195.1 Pbcn 293 MoKa tube B SMART1000 CCD 3493 32.5 0.025 890 39 SAINT 0.021 0.045 0.998
i62-i64 Naruke Gd4Mo7O27 1732.6 C2/c 296 MoKa R RAXIS-RAPID IP 24606 30.0 0.048 6778 344 TEXSAN (Molecular St 0.108 0.992
i65-i67 Gougeon CaMo5O8 647.8 P21/c 293 MoKa tube EN CAD-4 4174 39.9 0.025 3965 128 WINGX 0.072 0.073 1.000
m316-m318 Rajagopal C44H44O12U 1002.8 P-1 293 MoKa tube EN CAD-4 7623 25.0 0.032 7136 522 CAD-4 Softwar 0.055 0.072 0.998
m319-m321 Bremner C6H25As3N2 755.9 P-1 293 MoKa tube B SMART1000 CCD 7764 30.2 0.015 6021 292 SMART 0.036 0.071 0.903
m322-m323 Wang C38H34Cl2N 821.9 C2 294 MoKa tube S CCD 12943 27.5 0.031 8354 433 SHELXTL-NT 0.111 0.155 0.995
m324-m325 Bi C10H8AgN3O 326.1 Pnma 293 MoKa tube S SMART CCD 3206 25.1 0.047 1010 85 XPREP 0.081 0.971
m326-m327 Zhou C6H14NiO8 272.9 P212121 298 MoKa tube EN CAD-4 1375 27.5 0.000 1375 154 NRCVAX 0.060 0.113 1.000
m328-m330 Otieno C20H26CuN1 582.1 P-1 173 MoKa tube N KappaCCD 4496 25.0 0.000 4496 366 DENZO-SMN 0.055 0.129 1.000
m331-m333 Lewis C26H28BCl4 893.3 P-1 150 MoKa tube B SMART 1000 CCD 10005 27.5 0.047 8426 455 SAINT and SHE 0.121 0.095 0.842
m334-m336 Xie C19H17Cl2F 492.1 P-1 293 MoKa tube B CCD 6454 28.1 0.111 4582 273 SAINT 0.123 0.244 0.925
m337-m339 Sbai C24H32Cl2N 626.2 P121/c1 293 MoKa tube N KappaCCD 46051 26.4 0.038 6075 383 DENZO SCALEPA 0.040 0.116 0.930
m340-m341 Bohle C28H20CuN4 508.0 C2/c 293 MoKa tube S P4 2417 25.0 0.035 1997 171 XSCANS/P4 0.080 0.105 0.998
m342-m343 Dubberley C24H54Li3N 489.6 P21/c 150 MoKa EN Kappa CCD 11636 0.029 6275 326 DENZO 0.071 0.998
m344-m346 Wongratchas C45.5H55Cl 1015.6 P21/c 293 MoKa tube S SMART CCD 28105 28.2 0.093 11428 584 SAINT and SAD 0.090 0.154 0.970
m347-m348 Fiedler C9H21Cl2N3 309.1 P21/c 141 MoKa tube S SMART CCD 5156 24.7 0.046 2167 146 SAINT 0.047 0.108 0.870
m349-m351 Clegg C18H42Cu2M 681.8 P21/n 160 MoKa tube B SMART CCD 24398 26.0 0.027 7028 288 SAINT 0.029 0.056 0.931
m352-m353 Okabe C20H18CoN2 489.3 P-1 296 MoKa R AFC-5R 4707 27.5 0.049 4438 313 TEXSAN 0.162 1.000
m354-m356 Okabe C14H19CeN2 579.4 P21/a 296 MoKa R AFC-5R 5095 27.5 0.042 4648 280 TEXSAN 0.243 1.000
m357-m359 Amami C4H14Cl4Hg 432.6 P21/c 293 MoKa tube Home-made IP 803 23.6 0.076 741 53 local softwar 0.065 0.073 0.909
m360-m362 Zhang C26H20Cl2M 626.3 P-1 293 MoKa tube S SMART CCD 6697 25.1 0.021 4509 369 XPREP in SHEL 0.085 0.161 0.985
m363-m365 Whitmire C75H66O4P6 1589.5 Pbca 293 MoKa tube R AFC-5S 5937 20.0 0.000 5937 305 TEXSAN 0.087 0.115 0.976
m366-m368 Hibble C8H22Cl4Mo 402.0 Pnma 293 MoKa N KappaCCD 10054 27.5 0.022 1402 100 DENZO/SCALEPACK 0.028 0.996
m369-m371 Hamamci C28H30N4O1 712.1 P21/n 133 MoKa tube B SMART 1000CCD 28712 30.0 0.023 4267 217 SAINT 0.026 0.069 0.999
m372-m374 Okabe C20H26CdN2 486.8 P21/c 296 MoKa R AFC-5R 5402 27.5 0.065 4939 255 TEXSAN 0.188 1.000
m375-m377 Edwards C71H71NiP4 1107.0 P21/a 200 MoKa tube N KappaCCD 65297 25.4 0.087 2785 310 DENZO and SCALEPACK 0.065 0.990
m378-m380 Barnes C8H14Na4O1 426.2 C2/c 150 MoKa EN FR591 EN KappaCCD 12544 28.0 0.055 3594 265 DENZO and COL 0.094 0.145 0.981
o706-o707 Lynch C4H9NO2 103.1 C2/c 150 MoKa B-N FR591 B-N KappaCCD 3853 27.4 0.070 1208 79 DENZO and COL 0.088 0.130 0.974
o708-o709 Lynch C9H11NO2 165.2 P21/c 120 MoKa B-N FR591 B-N KappaCCD 3445 25.0 0.097 1352 110 DENZO and COL 0.152 0.181 0.876
o710-o711 Lynch C12H15ClN2 270.8 P-1 120 MoKa B N FR591 B-N KappaCCD 8739 27.5 0.042 2846 160 DENZO and COL 0.065 0.147 0.938
o712-o714 Millard C28H37ClO7 521.0 P212121 100 MoKa tube B CCD 25323 25.7 0.044 4799 331 SAINT 0.033 0.072 0.999
o715-o716 Gainsford C13H15NO3S 265.3 P21/n 130 MoKa tube S/Nicolet R3m 4C 2933 28.0 0.036 2794 223 SHELXTL 0.061 0.092 0.922
o717-o719 Francis C16H19F3N4 404.4 P21/a 293 MoKa tube B AXS SMART with 26370 31.7 0.050 5238 330 MolEN 0.120 0.188 0.848
o720-o722 Zhuang C34H26N2O 478.6 P21/c 293 MoKa tube B CCD 10446 25.0 0.082 4517 335 SHELXTL 0.153 0.115 1.000
o723-o725 Benali-Cher C16H19Br1N 383.3 P21/n 293 MoKa EN CAD-4 4976 30.0 0.063 4813 236 XCAD4 0.179 0.108 0.986
o726-o728 Jones C22H18N2 310.4 P21/c 293 MoKa tube Nicolet R3 5639 25.0 0.024 2760 217 XDISK 0.056 0.117 0.998
o729-o730 Lynch C11H12O5S 256.3 P-1 120 MoKa B-N FR591 B-N KappaCCD 6362 27.5 0.032 2484 159 DENZO and COL 0.053 0.138 0.957
o731-o732 Lynch C15H11FN2 238.3 P-1 150 MoKa B-N FR591 B-N KappaCCD 17989 27.5 0.065 5311 326 DENZO and COL 0.106 0.238 0.969
o733-o734 Lynch C17H21N3O3 347.4 P212121 120 MoKa B-N FR591 B-N KappaCCD 6163 25.0 0.073 2867 229 DENZO and COL 0.079 0.136 0.968
o735-o737 Bats C11H12O2 176.2 P21/n 144 MoKa tube S SMART CCD 41566 32.0 0.059 7056 240 SAINT 0.113 0.139 0.950
o738-o739 Mruthyunjay C17H15BrN2 359.2 P21/n 293 MoKa tube B SMART CCD 39464 27.4 0.061 6698 399 SAINT 0.071 0.084 0.998
o740-o741 Vasuki C12H12N2O2 216.2 P-1 293 MoKa tube EN CAD4 4344 25.0 0.014 3849 293 MOLEN 0.083 0.163 0.999
o742-o744 Rodriguez C10H7NO3 189.2 P21/n 168 MoKa tube B AXS/CCD 4735 26.2 0.035 1685 131 SAINT 0.061 0.100 0.998
o745-o746 Lynch C16H14N2O2 298.4 P21/c 150 MoKa B N FR591 B N KappaCCD 6999 25.0 0.171 2486 191 DENZO and COL 0.122 0.206 0.997
o747-o749 Sridhar C6H15ClN4O 210.7 P1 293 MoKa tube B SMART CCD 10067 35.9 0.024 6750 235 SAINT 0.045 0.136 0.889
o750-o752 Badorrey C17H29NO6 343.4 P1 293 MoKa tube S P4 3913 25.0 0.018 3277 433 XSCANS 0.102 0.119 0.997
o753-o755 Vasuki C25H29NO2 375.5 P1 293 CuKa tube EN CAD-4 4136 68.0 0.000 4136 506 MOLEN 0.038 0.102 0.999
o756-o757 Usman C25H21NO2 367.4 P21/c 213 MoKa tube S SMART CCD 11044 28.3 0.076 4609 308 SAINT and SAD 0.079 0.141 0.960
o758-o759 Clegg C12H13NO3S 251.3 P212121 160 MoKa tube S SMART 1K CCD 4745 23.2 0.036 1718 160 SAINT 0.027 0.068 0.998
o760-o762 Clegg C17H15NO3S 313.4 P-1 160 MoKa tube S SMART 1K CCD 6481 24.0 0.031 4723 406 SAINT 0.041 0.108 0.846
o763-o764 Clegg C18H17NO3S 327.4 P21/c 160 MoKa tube S SMART 1K CCD 16452 25.0 0.070 6588 424 SAINT 0.140 0.145 0.972
o765-o766 Clegg C11H11NO4 221.2 P21 160 CuKa tube Stoe-S 4C 2697 67.3 0.028 1851 150 local program 0.028 0.074 0.999
o767-o768 Clegg C19H19NO3S 341.4 P21 160 MoKa tube S SMART 1K CCD 6725 26.0 0.018 3382 219 SAINT 0.032 0.079 0.914
o769-o771 Low C15H12N4O3 296.3 P21/c 120 MoKa tube N KappaCCD 6931 25.0 0.093 2852 199 DENZO-SMN 0.102 0.155 0.953
o772-o773 Janca C15H14N3PS 331.4 P21/c 183 MoKa tube B SMART three-cir 24788 27.0 0.025 3331 246 SAINT 0.037 0.079 0.996
o774-o776 Beja C7H3I3O2 499.8 P212121 293 MoKa tube EN CAD-4 3402 30.0 0.022 2951 110 HELENA 0.063 0.104 0.997
o777-o778 Bond C5H10Si 98.2 P21 150 MoKa tube N KappaCCD 5343 27.5 0.069 3566 177 HKL DENZO and 0.109 0.273 0.837
o779-o781 Sridhar C10H25ClN2 416.9 P21 105 MoKa tube B SMART CCD 17119 37.6 0.022 9018 225 SAINT 0.032 0.086 0.967
o782-o783 Beltran C24H15Br3 543.1 P212121 136 MoKa tube S SMART CCD 26670 24.7 0.090 9744 731 SAINT 0.073 0.070 0.988
o784-o786 Ajees C18H13N5O3 379.4 P-1 293 CuKa tube EN CAD-4 3306 69.9 0.012 3105 245 CAD-4 Softwar 0.048 0.129 0.938
o787-o789 Carballo C6H9N3OS 171.2 Pbcn 293 MoKa tube B SMART-CCD 1000 8987 28.0 0.062 1904 105 SAINT 0.058 0.132 0.857
o790-o791 Usman C23H19NO3 357.4 P21/n 213 MoKa tube S SMART CCD 8684 25.0 0.119 3233 247 SAINT and SAD 0.111 0.148 0.984
o792-o793 Usman C20H14N2 282.3 P21/c 213 MoKa tube S SMART CCD 8637 28.3 0.102 3625 200 SAINT and SAD 0.145 0.139 0.958
o794-o796 Eriksson C12H5Br5O 564.7 P21/c 293 MoKa tube STOE IPDS 18710 26.0 0.114 2843 163 INTEGRATE in 0.087 0.066 0.987
o797-o798 Usman C13H12O3 216.2 P21/c 213 MoKa tube S SMART CCD 13416 28.2 0.090 5495 294 SAINT and SAD 0.075 0.127 0.979
o799-o801 Reis C13H18O2S1 238.3 P21/n 293 MoKa tube Stoe CCD 22065 25.0 0.050 2313 173 Crysalis RED 0.055 0.090 0.999
E58 Part 8
i68-i69 Nockemann Cl2H8HgN4O 431.6 Pnma 293 MoKa tube Stoe IP Diffracti 14614 27.0 0.061 1163 74 X-RED 0.025 0.047 1.000
i70-i71 Morgan O13Si3Sm5 1044.0 P63/m 295 MoKa tube B Platform/SMART 6710 32.6 0.055 716 40 SAINT 0.036 0.074 0.999
m381-m382 Kickelbick C40H40Cu2I 957.6 C2/c 294 MoKa tube B SMART CCD 11236 26.4 0.058 3953 217 SAINT 0.107 0.158 0.998
m383-m384 Han C30H24Ag6N 1308.1 P21/n 293 MoKa tube B SMART CCD 6003 25.0 0.031 3348 217 SAINT 0.080 0.120 0.986
m385-m386 Barnett C12H8Cl2N4 385.5 P21/n 1500.689 synchrotr B SMART CCD 3314 27.5 0.040 1856 89 SAINT 0.047 0.088 0.875
m387-m388 Kickelbick C8H11ClPt 337.7 C2/c 213 MoKa tube B SMART CCD 5677 28.3 0.036 2062 92 SAINT 0.029 0.073 0.991
m389-m391 He C26H28N12N 583.3 P21/n 293 MoKa tube CCD 24352 33.5 0.046 9577 465 SAINT 0.102 0.091 0.935
m392-m395 Sethuraman C10H11CuN5 424.9 P21/n 293 MoKa tube EN CAD-4 2857 25.0 0.020 2649 271 MolEN 0.051 0.077 1.000
m396-m398 Deschamps C33H39ClCu 638.7 Cc 93 MoKa tube B SMART 1000 CCD 10947 28.3 0.014 5597 379 SAINT and XPR 0.024 0.064 0.979
m399-m401 Cai C8H8Cl4N4Z 367.4 Cmcm 293 MoKa tube EN CAD-4 1169 25.0 0.017 607 50 NRCVAX 0.031 0.073 1.000
m402-m403 Calmuschi C15H22ClCo 476.8 P-1 293 MoKa tube B CCD 10330 28.6 0.045 4855 268 SAINT 0.100 0.167 0.974
m404-m405 Diz C39H32Br2C 926.4 P21/n 153 MoKa tube Stoe IPDS 15317 25.9 0.050 6181 433 INTEGRATE in 0.059 0.090 0.840
m406-m407 Clegg C54.50H48C 969.6 P-1 298 MoKa tube Stoe-S 6142 22.5 0.057 5972 550 local program 0.066 0.109 0.995
m408-m409 Clegg C42H46Cl8P 1030.2 P21/n 160 MoKa tube S SMART CCD 27485 26.0 0.041 10376 493 SAINT 0.064 0.118 0.898
m410-m411 Clegg C38H30Cl3D 777.9 P21/c 160 MoKa tube S SMART CCD 35176 25.0 0.086 12063 814 SAINT 0.073 0.121 0.998
m412-m413 Jones C24H30Fe 374.3 P-1 178 MoKa tube Nicolet R3 3561 25.0 0.017 3346 233 XDISK 0.046 0.103 0.997
m414-m415 Jones C24H30Ru 419.6 P-1 183 MoKa tube Nicolet R3 4763 27.5 0.011 4477 233 XDISK 0.035 0.080 0.998
m416-m419 Amami C6H20Cl4Hg 462.6 P1121/n 3430.5 A Synchrotr Huber 4C Kappa wi 6993 16.3 0.044 1191 77 SAINT 0.051 0.079 0.960
m420-m422 Kang C28H47Mo3N 1257.0 P-1 293 MoKa tube SMART CCD 12774 25.1 0.051 8550 497 XPREP in SHEL 0.084 0.163 0.989
m423-m425 Curtis C24H32Cl2N 634.1 Fdd2 158 MoKa tube S CCD 34536 26.3 0.106 4658 356 SAINT 0.092 0.083 0.986
m426-m428 Liu C30H22Cl2C 572.3 P21/c 293 MoKa tube B CCD 9394 25.0 0.071 4581 334 SAINT and SHE 0.120 0.216 0.985
m429-m431 Kooijman C24H28Cl2N 544.8 P212121 150 MoKa RA EN CAD-4 Turbo 6371 27.5 0.019 5650 293 HELENA 0.033 0.063 0.999
m432-m433 Henderson C65H54Cl2N 1430.8 P21/n 168 MoKa tube S CCD 74438 26.4 0.026 12130 748 SADABS 0.031 0.068 0.988
m434-m435 Rabe C48H50I2Li 1004.4 P21/c 203 MoKa tube B 1K CCD 14670 26.4 0.128 4726 270 SAINT 0.159 0.120 0.990
m436-m438 An C18H11Cl4N 504.5 P21/c 193 MoKa B SMART 1000 10833 47.4 0.096 3451 254 SAINT 0.096 0.088 25.000
m439-m440 Guo C26H35CdN5 658.2 P21/c 223 MoKa tube B SMART CCD 25219 30.0 0.036 9058 327 SHELXTL 0.062 0.105 0.990
m441-m443 Hans C34H32F4O6 731.3 P21/c 170 MoKa tube N KappaCCD 12703 27.4 0.028 6945 426 SCALEPACK 0.064 0.148 0.969
m444-m446 Barnett C4H14CoN4O 337.1 P21/c 150 MoKa tube B SMART APEX CCD 5625 27.5 0.032 1552 105 SAINT and SHE 0.041 0.082 0.943
m447-m448 Lemmer C6H14CrKO1 385.3 P21/n 173 MoKa tube STOE IPDS-II two- 25347 29.7 0.051 3803 230 X-AREA 0.027 0.066 0.991
m449-m450 Ito C6H18CrO6P 523.5 C2/c 296 MoKa R AFC-5S 2591 27.5 0.016 1597 101 CrystalStructure 0.021 0.999
m451-m453 Diz C29H36Co1O 953.7 P21/n 153 MoKa tube Stoe IPDS 23765 25.9 0.034 6430 430 INTEGRATE in 0.049 0.091 0.969
m454-m456 Guo C17H22Cl2C 476.2 P21/c 293 MoKa B SMART 1000 8055 46.7 0.084 3555 253 SAINT 0.135 0.091 25.010
m457-m459 Shongwe C33H38CoN3 631.6 P-1 293 MoKa tube B SMART 1K CCD 10784 28.3 0.028 7345 392 SAINT 0.100 0.102 0.974
m460-m462 Harris C0.73H47.1 1135.6 Im 122 MoKa tube N KappaCCD 34422 35.0 0.057 7322 225 EvalCCD and D 0.037 0.102 0.998
m463-m465 Fun C82H86Cl6O 2080.3 P21/c 183 MoKa tube S SMART CCD 26358 28.3 0.096 10599 496 SAINT 0.069 0.116 0.968
o802-o804 Ajees C25H20N2O2 380.4 P21/c 293 CuKa tube EN CAD-4 8049 72.0 0.025 7521 524 CAD-4 Softwar 0.051 0.124 0.978
o805-o806 Rani C11H12N2O4 236.2 P-1 293 MoKa tube EN CAD-4 4142 25.0 0.042 3962 309 MolEN 0.113 0.122 0.999
o807-o809 Mariyatra C26H22NO4P 443.4 Pbca 120 MoKa tube B SMART-6000 CCD 63180 30.5 0.024 6766 377 SAINT-NT 0.047 0.114 0.999
o810-o811 Konig C26H30N2O 386.5 P212121 133 MoKa tube locally modified 23229 24.8 0.047 1939 264 SAINT 0.047 0.092 0.925
o812-o814 Aberg C26H20BrNO 506.4 P21 120 MoKa tube KappaCCD 8301 27.5 0.052 4234 289 0.052 0.103 0.985
o815-o816 Jovanovic C18H16 232.3 C2/c 291 MoKa tube N KappaCCD 12358 27.5 0.017 2909 164 DENZO and SCA 0.119 0.069 0.986
o817-o818 Sethuraman C12H13ClN4 248.7 P-1 293 MoKa tube EN CAD-4 4724 25.3 0.030 4437 376 MolEN 0.058 0.142 0.970
o820-o821 Yi C6H10NO5P 207.1 P21/n 293 MoKa tube B SMART APEX CCD 4405 26.0 0.056 1613 133 SAINT 0.057 0.103 0.994
o822-o824 Benali-Cher C6H11N5O8 281.2 P212121 293 MoKa tube N KappaCCD 8658 26.4 0.054 1286 174 DENZO and SCA 0.041 0.091 0.911
o825-o827 Iyere C10H11BrN2 255.1 P212121 90 MoKa tube N KappaCCD 6291 27.5 0.030 2315 137 DENZO-SMN 0.030 0.052 0.999
o828-o830 Dupont C13H7Br2N3 492.0 Pbca 293 CuKa tube EN CAD-4 3587 74.2 0.022 3075 213 HELENA 0.042 0.085 1.000
o831-o833 Kliegel C25H33B3N2 474.0 P-1 273 MoKa tube Quantum CCD 11054 0.041 4675 320 TEXSAN 0.164 0.264
o834-o836 Doi C41H51N7O7 786.0 P21 100 MoKa MS M18XCE B SMART APEX CCD 13044 28.3 0.050 8394 513 SAINT-Plus 0.107 0.141 0.933
o837-o839 Bi C24H18N2O4 462.5 P21/c 293 MoKa tube S SMART CCD 7140 25.0 0.021 3830 297 SHELXTL 0.121 0.994
o840-o841 Britton C7H3F2N 139.1 P21/m 172 MoKa tube EN CAD-4 2908 27.9 0.056 784 59 TEXSAN 0.049 0.120 1.000
o842-o844 Liu C18H16N4S8 544.8 P21/n 293 MoKa tube B P4 2991 25.0 0.051 2103 135 XSCANS 0.077 0.182 0.994
o845-o847 Smith C14H13N3O7 335.3 P-1 295 MoKa R RA R AFC-7R 3872 27.5 0.027 3406 234 TEXSAN 0.140 0.217 0.999
o848-o850 Stibrany C24H21BrN2 417.3 P21 298 MoKa tube B SMART CCD 4474 25.0 0.021 3017 244 SAINT 0.055 0.106 0.908
o851-o852 Kemmitt C12H30N2O7 314.4 R3 168 MoKa tube B P4 1170 26.4 0.211 422 67 SAINT and SAD 0.097 0.134 0.759
o853-o855 Flippen-And C22H27N3O5 413.5 P212121 293 CuKa tube B P4 2333 57.6 0.044 2131 282 XDISK 0.046 0.124 0.998
o856-o857 Gilardi C8H6N2O5 210.2 P21/c 294 CuKa tube CCD 6207 58.9 0.045 1323 137 SHELXTL 0.052 0.101 0.987
o858-o859 Butcher C12H14ClN3 299.7 Pbca 293 MoKa tube S P4S 2448 25.0 0.000 2448 250 SHELXTL 0.087 0.156 0.999
o860-o861 Gilardi C8H8Cl2O2 207.0 C2/c 294 MoKa tube B SMART 1K CCD 5852 26.4 0.027 1822 140 SHELXTL 0.049 0.110 0.997
o862-o864 Pandiarajan C10H19N3O7 293.3 P212121 293 MoKa tube ENonis CAD-4 3718 25.5 0.019 1430 186 CAD-4 Softwar 0.052 0.121 0.966
o865-o866 Kumar C19H12N4O7 408.3 P21/a 293 MoKa tube EN CAD-4 8396 28.0 0.056 4202 273 Xtal3.5 0.152 0.132 0.999
o867-o868 Kolev C15H14N2O3 270.3 P21/n 291 MoKa tube N KappaCCD 8954 25.4 0.031 2365 183 DENZO and SCA 0.132 0.089 0.977
o869-o870 Tandon C14H10Cl2N 277.1 P21/n 293 MoKa tube B P4 3023 25.0 0.016 2245 163 XSCANS 0.037 0.090 1.000
o871-o873 Fronczek C15H20O4 264.3 P21 120 CuKa tube \k-geometry 2686 74.9 0.037 2400 176 XCAD4 0.037 0.109 1.000
o874-o876 Fronczek C21H22O10 434.4 P21 120 MoKa tube KappaCCD 23672 30.5 0.025 6629 568 DENZO and SCA 0.056 0.090 0.993
o877-o878 Liu C19H18O8 374.3 P21/n 120 MoKa tube KappaCCD 21781 32.0 0.025 5796 260 HKL DENZO and 0.080 0.137 0.992
o879-o881 Ravikumar C5H14NO6P 215.1 P21/a 293 MoKa tube EN tube 1766 25.0 0.008 1652 131 CAD-4 Softwar 0.040 0.079 1.000
o882-o884 Pandiarajan C5H12N2O5S 212.2 P21 293 MoKa tube EN tube 2028 24.9 0.038 1924 235 CAD-4 Softwar 0.056 0.131 0.996
o885-o886 Thamotharan C21H13Cl2N 366.2 P21/n 293 MoKa tube EN CAD-4 3290 25.0 0.013 3090 227 MolEN 0.066 0.107 1.000
o887-o888 Coles C29H27O8 503.5 C2/c 150 MoKa N KappaCCD 18113 23.6 0.167 3642 442 DENZO and COLLECT 0.148 0.992
o889-o890 Choudhury C9H10O3 166.2 P21/c 293 MoKa tube B SMART CCD 6276 26.4 0.037 1714 149 SAINT 0.051 0.117 0.999
o891-o892 Prasad C11H11NO3 205.2 P21/c 293 CuKa tube EN CAD-4 2123 75.5 0.029 2047 167 MolEN 0.105 0.178 0.959
o893-o895 Thinagar C16H11Cl2N 304.2 C2/c 293 MoKa tube EN CAD-4 2630 25.0 0.028 2528 181 XCAD4 0.106 0.114 0.999
o896-o897 Coruh C38H36N8O4 732.9 P21/c 293 MoKa tube B CCD 9948 26.3 0.078 4124 235 SAINT 0.218 0.154 0.920
o898-o900 Andrade C25H36O5 416.5 P21 293 CuKa EN MACH3 7913 71.9 0.034 4918 559 HELENA 0.047 0.124 0.996
o901-o903 Fleischer C16H20Cl4N 633.9 P21/n 295 CuKa EN CAD-4 2465 73.9 0.000 2465 148 CORINC 0.059 0.113 1.000
o904-o906 Sun C12H16N6O8 372.3 P21/n 293 MoKa tube Siemems SMART CCD 2373 0.029 1372 150 SHELXTL 0.068 0.148
o907-o908 Yang C20H23N3O2 337.4 P-1 294 MoKa tube B CCD 6524 27.6 0.032 4309 229 SHELXTL 0.162 0.109 0.983
o909-o910 Visnjevac C14H15N 197.3 P21/n 293 MoKa tube EN CAD-4 2404 26.3 0.053 2299 138 HELENA 0.284 0.186 0.998
o911-o912 Li C16H18O2S2 306.4 P21/c 293 MoKa tube B CCD 2943 25.0 0.030 1333 91 SHELXTL 0.064 0.130 0.997
o913-o915 Martin C14H16N2O6 308.3 C2/c 293 MoKa tube EN CAD-4 4616 30.0 0.033 4419 225 XCAD4 0.192 0.155 0.999
o916-o917 Chen C18H18N4 290.4 Pbca 293 MoKa B SMART CCD 7990 27.2 0.019 1614 100 SAINT 0.106 0.978
o918-o919 Schmidt C11H8O3 188.2 P21/c 173 MoKa tube Stoe IPDS II two- 12620 29.8 0.041 2450 136 X-AREA 0.049 0.070 0.991
o920-o922 Ivashevskaj C9H11NO3 181.2 P21/n 293 CuKa tube powder DRON-4.07 126 local program
o923-o924 Zheng C24.50H24. 552.4 P21/c 293 MoKa tube B CCD 11025 25.0 0.098 4853 334 SHELXTL 0.195 0.180 0.953
o925-o926 Borbulevych C13H14Cl2O 305.2 P21/n 173 MoKa tube S P3 2602 25.1 0.044 2372 163 XDISK 0.054 0.091 0.975
o927-o928 Wicke C8H12O8Si 264.3 P-421c 173 MoKa tube Stoe IPDS II two- 7495 32.7 0.040 1091 40 X-AREA 0.024 0.063 0.986
o929-o930 Liu C6H8Cl2N4S 271.2 P21/c 298 MoKa tube R AFC-7S 1163 26.0 0.049 1037 76 TEXSAN 0.069 0.180 1.000
o931-o932 Rickard C21H20OSe 367.3 P212121 150 MoKa tube S SMART 10162 26.4 0.035 3416 212 SAINT 0.029 0.065 0.999
o933-o934 Rickard C18H20O2Se 347.3 P-1 150 MoKa tube S SMART 7048 26.1 0.016 2984 193 SAINT 0.020 0.052 0.985
o935-o936 Doi C36H60N4O1 740.9 C2221 100 MoKa MS M18XCE B AXS SMART APEX 13003 28.6 0.031 4717 242 SAINT-Plus 0.051 0.111 0.950
o937-o939 Guzei C11H17N5 219.3 Pna21 100 MoKa tube B CCD-1000 8561 26.0 0.041 1236 196 SAINT 0.052 0.107 0.994
o940-o941 Avasthi C18H22N8O2 446.6 P-1 293 MoKa tube B P4 2453 26.0 0.018 1966 138 XSCANS 0.044 0.101 0.989
o942-o945 Low C9H12N6O5 284.3 P-1 150 MoKa tube N KappaCCD 9202 25.0 0.055 2321 182 DENZO-SMN 0.062 0.122 0.980
o946-o947 Mahalakshmi C8H6Cl3NO 238.5 Pn 293 MoKa tube B SMART CCD 3931 28.0 0.014 1956 119 SAINT 0.024 0.062 0.961
o948-o949 Kreher C5H14N2O2 134.2 P21/c 123 MoKa N KappaCCD 5677 28.3 0.059 1853 94 HKL DENZO and 0.079 0.110 0.989
m950-m952 Liang C14H40Br6N 803.9 Pbca 293 MoKa tube B CCD 12529 25.0 0.084 2294 128 SAINT 0.056 0.088 1.000
o953-o955 Coruh C29H14Cl2N 521.3 P-1 293 MoKa tube B CCD 7156 28.1 0.027 4969 334 SAINT 0.112 0.104 0.832
o956-o958 Usman C17H14O3 266.3 Pca21 213 MoKa tube S SMART CCD 5952 25.0 0.120 1226 183 SAINT and SAD 0.070 0.117 0.998
o959-o960 Kang C24H20N2O4 464.5 C2/c 293 MoKa tube S SMART CCD 3703 25.0 0.035 1980 145 XPREP in SHEL 0.105 0.185 0.974
o961-o963 Bond C7H9N 107.2 C2/c 150 MoKa tube N KappaCCD 2468 35.3 0.023 1366 41 HKL DENZO and 0.068 0.157 0.961
o964-o965 Boland C16H23NO4 293.4 P-1 293 CuKa tube EN CAD-4 3449 71.9 0.022 3147 194 HELENA 0.126 0.185 1.000
E58 Part 9
i72-i73 Ouarsal BaH5O6.50P 308.3 P21/n 173 MoKa tube STOE IPDS-II two- 38630 31.5 0.097 4582 179 X-AREA 0.048 0.086 0.998
i74-i75 Hatscher Dy4S12Si3 1119.0 P21/n 293 MoKa tube STOE IPDS 29396 28.2 0.120 4184 173 IPDS Software 0.034 0.047 0.990
i76-i78 Levason H28Ce2Cl6O 745.2 P-1 120 MoKa N RA N KappaCCD 7877 25.0 0.053 1879 144 COLLECT and D 0.032 0.080 0.996
i79-i81 Maley Cl4Pb1 349.0 I2/a 150 MoKa Stoe Stadi-4 2322 25.0 0.070 534 25 REDU4 0.023 0.057 1.000
m466-m468 Hans C100H120N4 2140.8 P-1 120 MoKa tube N KappaCCD 19979 27.4 0.032 10658 589 SCALEPACK 0.071 0.117 0.983
m469-m470 Lang C24H22AuN2 598.4 P-1 293 MoKa EN CAD-4 8437 27.0 0.089 5002 264 HELENA 0.120 0.100 0.998
m471-m472 Willett C9H30B2F8N 454.7 Pbca 298 MoKa tube S P2~1~ upgraded 4877 25.3 0.048 3503 311 SHELXTL 0.153 0.139 0.961
m473-m475 Zhang C29H23ClMn 613.9 C2/c 293 MoKa tube S SMART CCD 10092 25.0 0.035 4933 370 XPREP in SHEL 0.110 0.191 0.987
m476-m477 Jones C26H31Cl5N 821.8 Pbca 178 MoKa tube Nicolet R3 10607 25.0 0.043 5419 339 XDISK 0.071 0.087 0.998
m478-m479 Jones C29H20CrO5 594.5 P-1 178 MoKa tube Nicolet R3 5120 24.5 0.038 4578 343 XDISK 0.059 0.108 0.959
m480-m481 Fang C15H12CoN3 437.4 P21/c 296 MoKa tube S P4 7223 25.0 0.028 6188 451 XSCANS 0.092 0.059 1.000
m482-m483 Fuss C21H36F3O4 573.6 P21/c 128 MoKa tube SMART CCD 10547 24.7 0.047 4035 280 SAINT 0.054 0.089 0.962
m484-m485 Amini C28H50Cl2O 823.0 P21/n 168 MoKa tube S CCD 9926 26.5 0.104 3392 177 SAINT 0.097 0.107 0.927
m486-m487 Hu C12H44N10N 643.3 P-1 298 MoKa tube S CCDr 4434 27.9 0.023 3095 208 SAINT 0.062 0.095 0.930
m488-m489 Charmant C16H22BiCl 508.2 P21/n 173 MoKa tube B CCD 9238 25.0 0.026 3185 186 SHELXTL 0.027 0.052 0.999
m490-m491 Chen C14H29Cl6M 823.9 P-1 293 MoKa tube S SMART CCD 14579 25.1 0.041 9771 559 XPREP 0.106 0.157 0.984
m492-m493 Bond C5H8N1Na1O 185.2 P-1 296 CuKa tube Stoe STADI-4 2997 54.9 0.000 2997 337 REDU4 0.059 0.113 0.994
m494-m496 Chebbi C8H24CrN2O 264.3 R-3c 293 MoKa tube EN CAD-4 1936 27.0 0.057 524 35 MolEN 0.065 0.091 0.998
m497-m499 Edwards C38H58BrCl 750.9 P21/n 200 MoKa tube N KappaCCD 94198 27.5 0.044 4771 446 DENZO and SCALEPACK 0.031
m500-m501 Henderson C4H10LiNO5 159.1 P3121 173 MoKa tube S CCD 5711 25.0 0.025 1367 104 SAINT 0.029 0.060 0.994
m502-m503 Garcia-Gran C34H43FeNO 617.7 P212121 200 CuKa tube N KappaCCD 12512 59.0 0.031 3218 401 HKL DENZO and 0.068 0.142 0.886
o966-o968 Guo C12H10N6 238.3 P21/c 293 MoKa B SMART 1000 4288 46.8 0.080 1884 163 SAINT 0.135 0.180 25.020
o969-o971 Gilardi C10H16N6O6 316.3 C2/c 295 CuKa tube B 6K CCD 7129 67.0 0.032 2410 219 SAINT 0.054 0.139 0.943
o972-o974 Gilardi C4H6N8O8 294.2 P21 294 CuKa tube B 6K CCD 2607 66.7 0.027 1442 182 SAINT 0.036 0.091 0.939
o975-o977 Shi C10H22N2O6 330.4 P21 293 MoKa tube B CCD 3157 25.0 0.032 2338 197 SAINT and SHE 0.057 0.089 0.999
o978-o980 Gilardi C8H2N6O12 374.2 Pnma 295 MoKa tube B P4/CCD 9511 28.3 0.026 1655 157 SAINT 0.068 0.136 0.977
o981-o982 Parkin C6H14N2 114.2 P21/c 220 CuKa tube Stoe Stadi-4 4C 2463 69.8 0.027 646 39 REDU4 0.041 0.107 0.960
o983-o984 Mahalakshmi C8H8N2O3 180.2 P21 293 MoKa tube B SMART CCD 14297 28.0 0.026 6994 473 SAINT 0.069 0.154 0.965
o985-o987 Guilardi C16H9NO3 263.2 P21/c 293 MoKa EN Turbo-CAD-4 3638 30.0 0.022 3409 208 XCAD4 0.120 1.000
o988-o989 Yapp C6H11NO3 145.2 P21 120 MoKa tube KappaCCD 1732 27.4 0.030 1174 125 DENZO-SMN 0.030 0.061 0.874
o990-o991 Light C23H23O3P 378.4 P212121 120 MoKa B-N FR591 B-N Kappa CCD 10345 25.0 0.096 3383 246 DENZO COLLECT 0.111 0.110 0.986
o992-o993 Li C16H16O2 240.3 P21/c 213 MoKa tube S SMART CCD 7600 28.3 0.093 3123 166 SAINT and SAD 0.087 0.172 0.975
o994-o996 Coruh C14H12N2O4 336.4 P21/c 293 MoKa tube EN CAD-4 MACH-3 3152 26.0 0.072 3004 201 XCAD4/PC 0.113 0.134 0.896
o997-o998 Upadhyaya C11H15NO 177.2 Pn 293 MoKa tube B SMART CCD 4076 28.0 0.021 2182 122 SAINT 0.051 0.116 0.924
o999-o1000Jones C9H11F2P 188.2 Pnma 178 MoKa tube Nicolet R3 2236 27.5 0.015 1154 79 XDISK 0.035 0.087 0.997
o1001-o100Rani C10H10N2O3 206.2 P21/n 293 CuKa tube EN CAD-4 2026 70.1 0.019 1878 136 MolEN 0.092 0.183 1.000
o1003-o100Dietzel C5H13O3P 152.1 P21/n 100 MoKa tube B SMART APEX 12209 35.0 0.073 3349 134 SAINT32 0.071 0.087 0.967
o1005-o100Hu C6H6Cl3N3O 258.5 P21/c 298 MoKa tube S CCD 5155 24.8 0.041 1748 139 SAINT 0.093 0.181 0.997
o1008-o100Ye C8H32Cl4N4 646.2 P21/n 298 MoKa tube B CCD 7255 28.0 0.029 2885 195 SAINT 0.058 0.146 0.966
o1010-o101Bragg C36H62 494.9 P21/c 173 MoKa tube B CCD 28797 28.4 0.047 7984 343 SAINT-Plus 0.092 0.158 0.952
o1013-o101Ohba C144H120O6 1946.5 P-1 297 MoKa R AFC-7R 10329 25.0 0.021 9676 688 TEXSAN 0.155 1.000
o1016-o101Jones C11H26P2S2 284.4 Pnma 143 MoKa tube Stoe STADI-4 2346 27.5 0.020 1854 80 REDU4 0.030 0.072 0.997
o1018-o102Flippen-And C6H6N4O10 294.2 P21 93 MoKa tube B SMART 1000 CCD 25608 28.3 0.029 13028 1081 SAINT 0.061 0.130 0.975
o1021-o102Gainsford C11H13BrN4 313.2 Pna21 163 MoKa tube B P4 3279 26.1 0.058 1475 117 SAINT and SAD 0.072 0.147 0.760
o1023-o102Necas C21H26ClNO 455.9 P21 120 MoKa tube Kuma KM-4 CCD 6727 25.0 0.035 3144 281 Xcalibur 0.030 0.067 0.980
o1025-o102Lynch C42H56N2O2 620.9 P21/n 150 MoKa B N FR591 B N KappaCCD 16116 27.5 0.125 4051 211 DENZO and COL 0.170 0.208 0.993
o1028-o103Zhao C26H20F2N2 430.4 P21/n 213 MoKa tube S SMART CCD 9770 25.0 0.107 3743 292 SAINT and SAD 0.139 0.181 0.986
o1031-o103Swenson C10H17N3O6 275.3 C2221 180 MoKa tube N KappaCCD 13640 25.0 0.058 1231 206 HKL DENZO and 0.068 0.128 0.994
o1034-o103Kliegel C37H50B3N2 635.2 P21/n 294 CuKa tube R AFC-6S 7579 62.5 0.038 7215 425 teXsan 0.057 0.920
o1038-o103Damodharan C42H46N2O6 674.8 Pbca 293 MoKa tube CCD 31175 28.0 0.032 4538 226 SAINT 0.105 0.179 0.894
o1040-o104Twamley C5H3F3N2O2 180.1 R-3 213 MoKa tube B SMART 1K CCD 12551 25.5 0.045 1208 109 SAINT-Plus 0.079 0.105 0.993
E58 Part 10
i82-i84 Fogh H6CaNNaO9S 291.2 P21/c 300 MoKa tube S SMART CCD 12384 27.1 0.040 2112 160 SAINT 0.029 0.960
i85-i87 Kissick Al2B2O7Rb2 358.5 P21/c 293 MoKa R RA R AFC-6R 4763 30.1 0.058 2281 119 TEXSAN for Wi 0.072 0.075 0.999
i88-i90 Kolitsch CrK4N2O10 396.4 P121/c1 293 MoKa tube N KappaCCD 6048 30.1 0.027 3107 155 HKL DENZO SCA 0.067 0.106 0.995
i91-i92 Tahiri CoH8K2O16P 525.1 Pnma 173 MoKa tube STOE IPDS II two- 24419 31.4 0.049 2441 128 X-AREA 0.029 0.061 0.991
i93-i94 Gainsford H60N10O51W 3222.8 P-1 168 MoKa tube S CCD 32370 26.5 0.047 10192 357 SAINT and SAD 0.067 0.128 0.973
i95-i97 Dawson Cl4Ti1 189.7 P21/c 150 MoKa B SMART APEX 2765 25.3 0.040 1343 47 SAINT 0.033 0.080 0.896
m504-m506 Morgan C27H26Br2P 767.3 P-1 168 MoKa tube S SMART 15666 26.4 0.036 5118 289 SAINT 0.051 0.114 0.977
m507-m509 Nather C4H4FeO6 203.9 Pn-3n 293 MoKa tube Stoe IPDS 27710 28.0 0.026 881 51 IPDS Program 0.045 0.178 0.978
m510-m512 Li C24H56N4Si 604.3 298 MoKa tube B SMART CCD 11157 25.0 0.038 4626 310 SAINT 0.049 0.109 0.997
m513-m516 Raj C9H6NNaO4S 247.2 P21/c 293 MoKa tube B AXS SMART with 132007 30.6 0.032 2662 169 SAINT 0.042 0.091 0.941
m517-m518 Ito C6H9CrO3S6 373.6 P21/n 296 MoKa R AFC-5S 3640 27.5 0.029 2041 145 CrystalStructure (Mo 0.022 0.999
m519-m520 Lensink C21H26Cl2N 489.3 P-1 170 MoKa tube Make? CCD 14834 26.4 0.078 4641 264 SAINT and SAD 0.114 0.140 0.983
m521-m523 Gainsford C12H49N5O2 1766.7 P-1 1000.920 synchrotr Quantum4 CCD dete 3953 30.0 0.066 3953 193 DENZO 0.039 0.103 0.839
m524-m526 Muga C36H98Fe2N 1399.3 C2/c 293 MoKa EN CAD4 9775 30.0 0.020 9512 391 XCAD4 0.098 0.178 0.998
m527-m528 Nockemann C9H14Cl3Hg 443.2 Ama2 293 MoKa tube Stoe IP Diffracti 7398 26.0 0.086 1426 82 X-RED 0.028 0.058 1.000
m529-m530 Nockemann C16H40Br6H 1141.1 P21/c 293 MoKa tube Stoe IP Diffracti 10530 25.0 0.097 2665 119 X-RED 0.083 0.067 1.000
m531-m533 Nockemann C16H40Br8H 1501.6 P42/m 293 MoKa tube Stoe IP Diffracti 23650 26.0 0.116 1681 74 X-RED 0.059 0.088 1.000
m534-m536 Nockemann C16H40Cl10 1417.4 P-1 293 MoKa tube STOE IP Diffracti 12624 27.0 0.084 3750 147 X-RED 1.22 0.071 0.080 0.999
m537-m539 Jr C4H6CdO2S4 326.7 C2/c 1230.5636 synchrotr B Mosaic KappaCCD 6696 21.4 0.084 1031 57 SHELXTL 0.030 0.073 0.999
m540-m542 Sun C10H26N2O1 495.7 C2/c 293 MoKa tube Siemems SMART CCD 4233 0.010 2242 166 SHELXTL 0.037 0.097
m543-m544 Reglinski C28H27Cl3F 615.8 Pbca 123 MoKa tube N KappaCCD 11957 27.5 0.029 6345 451 DENZO & COLLE 0.061 0.087 0.998
m545-m547 Cheng C24H16N10N 503.2 P-1 298 MoKa tube S P4 4C 3984 25.0 0.012 3697 316 S software 0.032 0.072 0.999
m548-m550 Sun C10H16O14Z 425.6 C12/c1 293 MoKa tube Siemems SMART CCD 2454 25.1 0.017 1341 148 SAINT and SHE 0.029 0.075 0.996
m551-m553 Lynch C18H20Cl4C 501.7 C2/c 150 MoKa B N FR591 B N KappaCCD 7197 27.5 0.044 2330 153 DENZO and COL 0.045 0.100 0.973
m554-m556 Liu C18H24CuF6 690.1 P21/c 293 MoKa tube EN CAD-4 5291 25.0 0.035 5092 370 XCAD4 0.123 0.126 0.939
m557-m558 Cabort C50H47BCl3 1046.1 P-1 153 MoKa tube STOE IPDS 16304 25.9 0.028 8322 604 INTEGRATE 0.047 0.076 0.931
m559-m561 Haddad C15H8ClN2O 485.9 P-1 203 MoKa tube S SMART 1K CCD 7351 25.0 0.031 2509 200 SHELXTL 0.031 0.067 0.995
m562-m563 Berenbaum C22H22Fe2O 470.3 P212121 100 MoKa tube N Kappa-CCD 19591 27.5 0.075 4381 246 DENZO-SMN 0.038 0.069 0.998
m564-m565 Cabort C25H27Cl3N 578.8 C2/c 153 MoKa tube Stoe IPDS 8616 25.9 0.049 2341 147 INTEGRATE in 0.032 0.059 0.964
m566-m568 Zhang C12H16N14N 415.1 P21/n 293 MoKa tube S SMART CCD 2860 25.0 0.022 1630 125 SMART and SAI 0.043 0.092 0.985
m569-m570 Baranowska C86H184Li8 1986.7 P21/n 200 MoKa tube B IPDS 47490 25.9 0.035 11732 669 SHELXTL 0.043 0.105 0.986
m571-m573 Delgado C20H22O9Ru 737.7 P-1 160 MoKa Stoe IPDS 12223 26.0 0.028 4546 320 XRED 0.054 0.897
m574-m576 Huang C36H26Cl4F 858.8 P21/c 293 MoKa tube EN CAD-4 5629 25.0 0.056 3082 223 TEXSAN 0.040 0.094 1.000
m577-m579 Lynch C24H24CuN6 748.2 P-1 150 MoKa B-N FR591 B-N KappaCCD 5879 27.7 0.040 3222 232 DENZO and COL 0.075 0.133 0.929
m580-m582 Kabir C4H10N8NiS 293.0 C2/c 295 MoKa tube MXC3 1257 27.5 0.013 1140 84 Please provid 0.081 0.134 0.999
m583-m585 Choi C10H16Cl4C 369.6 P1 293 MoKa tube B P4 4302 27.5 0.000 4302 290 SHELXTL 0.052 0.099 1.000
m586-m587 Scholz C4H8Cl3GaO 248.2 P21/m 173 MoKa tube STOE IPDS II two- 6794 29.8 0.070 1356 47 X-AREA 0.041 0.093 0.993
m588-m589 Chen C24H24Cl4N 703.5 C2/c 293 MoKa tube S SMART CCD 4923 25.0 0.028 2765 170 SHELXTL 0.060 0.117 0.982
m590-m591 Chen C32.50H22C 1103.9 P-1 293 MoKa tube S SMART CCD 9243 25.1 0.027 6185 470 XPREP in SHEL 0.048 0.109 0.981
m592-m594 Mahmoudkhan C6H18Cl4Co 319.0 P-1 183 MoKa tube S SMART CCD 9980 28.3 0.024 3458 154 SAINT and SAD 0.027 0.061 0.998
m595-m596 Potocnak C44H24CuN1 784.3 P21/n 220 MoKa tube Stoe IPDS 19431 26.0 0.050 6872 514 INTEGRATE in 0.074 0.152 0.934
m597-m598 Boyd C34H62Li2N 628.9 P-1 150 MoKa EN KappaCCD 7923 23.6 0.020 4117 199 DENZO 0.042 0.981
m599-m601 Lee C20H48Co3K 2309.3 P-1 298 MoKa tube STOE STADI4 6733 27.5 0.000 6733 421 X-RED 0.056 0.085 0.999
m602-m605 Briceno C5H12BaO8 337.5 P21/n 293 MoKa tube Nicolet P3/F 4858 27.5 0.026 2446 129 REDUCE in UCL 0.054 0.133 1.000
m606-m608 Deschamps C48H40Cu2N 1297.9 P-1 198 CuKa tube B P4 4685 58.1 0.017 3829 380 SHELXTL 0.044 0.096 0.997
o1043-o104Gainsford C13H15NO3S 265.3 P-1 130 MoKa tube S/Nicolet R3m 4C 3583 22.5 0.035 3157 316 SHELXTL 0.089 0.121 0.941
o1045-o104Song C6H6N4S4 262.4 C2/c 293 MoKa tube S SMART CCD 1847 25.0 0.021 948 64 SAINT 0.041 0.097 0.998
o1048-o105Chan C15H18N4O1 478.5 P21/c 298 MoKa tube B SMART CCD 12619 27.5 0.049 1992 280 SAINT-Plus 0.052 27.500
o1051-o105Lynch C18H13N3O 287.3 P-1 150 MoKa B-N FR591 B-N KappaCCD 9188 27.4 0.075 3005 200 DENZO and COL 0.142 0.179 0.963
o1053-o105Sarangaraja C21H20Cl2O 375.3 P212121 293 MoKa tube EN CAD-4 1904 25.0 0.000 1904 226 MolEN 0.073 0.100 0.999
o1055-o105Usman C16H15NO3 269.3 P21/c 293 MoKa tube S SMART CCD 6266 25.0 0.116 2346 183 SAINT and SAD 0.091 0.176 0.995
o1057-o105Kresge C8H8O2 136.1 P212121 150 MoKa tube N KappaCCD 3693 25.0 0.032 1405 186 DENZO-SMN 0.039 0.087 0.976
o1060-o106Usman C28H19NO4 433.4 P21/c 213 MoKa tube S SMART CCD 12406 28.3 0.110 5164 299 SAINT and SAD 0.097 0.156 0.962
o1062-o106ozbey C17H16Cl2F 384.2 Pbca 295 MoKa EN TurboCAD4 3893 26.3 0.079 3403 238 XCAD4 0.106 0.999
o1065-o106Mrozek C20H14N2O2 346.4 P21/n 293 CuKa tube Kuma KM4 2670 80.9 0.063 2469 228 DATAPROC 0.073 0.166 0.626
o1068-o106Jones C14H14O2 214.3 P21/n 173 MoKa tube Nicolet R3 2335 25.0 0.025 1913 145 XDISK 0.066 0.088 0.996
o1070-o107Lynch C9H13Cl2N3 250.1 P-1 150 MoKa B N FR591 B-N KappaCCD 7519 27.5 0.075 2465 164 DENZO and COL 0.044 0.104 0.988
o1072-o107Sivalakshmi C17H28ClNO 313.9 P21/n 298 CuKa tube R AFC7S 3564 0.078 1816 199 teXsan 0.149 0.068
o1075-o107Meng C19H20N2O3 324.1 P21/n 293 MoKa tube CCD 7908 27.2 0.040 3583 297 SAINT 0.110 0.138 0.993
o1078-o108Li C20H24N4 320.4 P212121 173 MoKa tube S SMART CCD 7152 25.0 0.098 1773 233 SAINT 0.071 0.119 0.998
o1081-o108Ishida C11H8ClN3O 281.7 P21/n 298 MoKa R RA R AFC-5R 4090 27.5 0.022 2767 205 teXsan for Wi 0.063 0.087 1.000
o1083-o108Ishida C13H9ClN4O 320.7 P21/n 300 MoKa R RA R AFC-5R 3894 27.5 0.020 3134 236 teXsan for Wi 0.118 0.132 1.000
o1085-o108Ishida C14H10ClN3 319.7 C2/c 300 MoKa R RA R AFC-5R 6914 29.0 0.025 3776 239 teXsan for Wi 0.114 0.134 0.997
o1088-o109Smith C16H24N6O1 460.4 P-1 293 MoKa tube B SMART CCD 4462 28.6 0.046 2475 174 SAINT 0.049 0.137 0.971
o1091-o109Chen C10H17NO3 199.3 P21/c 294 MoKa tube S CCD 7877 27.5 0.048 2709 130 SHELXTL-NT 0.135 0.166 0.991
o1093-o109Kolev C20H20N2 288.4 P21/n 291 MoKa tube N KappaCCD 62924 27.5 0.021 7998 403 DENZO and SCA 0.184 0.082 0.998
o1095-o109Kliegel C34H36BNO5 549.5 Pbca 294 MoKa tube EN CAD-4 6740 27.5 0.000 3752 375 local program 0.106 0.038 0.990
o1098-o109Kawai C9H9ClN4O4 272.7 P121/a1 93 MoKa R Mercury 8602 27.5 0.020 2545 199 CrystalStructure 0.103 1.000
o1100-o110Sun C13H10N2O8 322.2 P-1 293 MoKa tube S SMART CCD 3343 25.1 0.033 2238 249 SHELXTL 0.073 0.156 0.985
o1103-o110Sridhar C9H12N2O5 228.2 P21/c 293 MoKa tube ENonis tube 1968 24.9 0.039 1874 145 CAD-4 Softwar 0.168 0.141 1.000
o1106-o111Batsanov C76H76Br2N 1709.5 P-1 100 MoKa tube SMART 1K CCD 42220 29.1 0.041 19938 998 SAINT 0.081 0.186 0.979
o1111-o111Yadav C14H8N2O4 268.2 P21/c 293 CuKa tube EN CAD-4 2438 67.9 0.014 2130 182 MoLEN 0.050 0.105 0.999
o1113-o111Malecka C17H19N2O4 346.3 P21/n 293 CuKa tube AFC-5S R 3507 72.8 0.020 3283 227 TEXSAN 0.073 0.130 0.905
o1116-o111Stomberg C20H22O6 358.4 I2/c 183 MoKa tube S SMART CCD 24968 30.6 0.041 5495 340 SAINT and SAD 0.080 0.144 0.999
o1119-o112Ocak C19H23NO 281.4 P21/n 183 MoKa tube S SMART CCD 9095 28.3 0.080 3833 191 SAINT 0.082 0.136 0.969
o1121-o112Evain C21H17N3O3 359.4 P1211 298 MoKa N KappaCCD 68549 32.0 0.054 4422 487 HKL DENZO and 0.043 0.085 0.995
o1123-o112Evain C22H26N2O7 462.5 P212121 150 MoKa N KappaCCD 22365 26.7 0.063 4753 290 HKL DENZO and 0.067 0.088 0.995
o1125-o112Adamo C23H33N3O5 431.5 Cc 293( MoKa tube S P4 7207 30.0 0.017 3539 345 XSCANS 0.061 0.125 0.998
o1128-o112George C6H9NO7S 239.2 P-1 93 MoKa tube B 1K CCD 4192 28.3 0.017 2433 151 SAINT 0.042 0.104 0.948
o1130-o113Smith C15H14N4O6 346.3 P21/c 293 MoKa tube B SMART CCD 9501 27.5 0.055 3583 240 SAINT 0.070 0.174 0.985
o1133-o113Yokochi C3H5F5O2S 200.1 P21/n 290 CuKa tube S P4 1737 67.3 0.066 1151 106 XSCANS 0.113 0.138 0.945
o1136-o113Damodharan C8H11N5O5S 289.3 Pna21 293 CuKa tube EN CAD-4 1851 71.7 0.047 1851 174 XCAD4 0.070 0.176 0.942
o1139-o114Lynch C7H7N3O3S 213.2 P21/c 150 MoKa B-N FR591 B-N KappaCCD 5105 25.0 0.037 1504 133 DENZO and CO 0.050 0.105 0.923
o1142-o114Stibrany C33H31F3N4 620.7 I2/a 298 MoKa tube CCD 6104 25.0 0.017 2479 200 SAINT 0.059 0.146 0.908
o1145-o114Springer C18H18O4 298.3 P21/n 298 MoKa tube B SMART APEX 6951 27.5 0.043 1696 100 SAINT 0.078 0.140 0.999
o1147-o114Eriksson C12H4Br6O 643.6 P21/n 293 CuKa tube Stoe AED2 8595 68.0 0.096 2788 173 X-RED 0.127 0.092 0.999
o1150-o115Lynch C17H16N2O2 280.3 I-4 150 MoKa B-N FR591 B-N KappaCCD 8208 27.5 0.079 1838 206 DENZO and COL 0.096 0.093 0.994
o1152-o115Karadayi C18H21NO2 283.4 P21/n 293 MoKa tube S SMART CCD 6883 25.0 0.082 2711 195 SAINT 0.088 0.132 0.978
o1154-o115Feng C22H24N2O3 364.4 P21/c 296 MoKa tube S P4 3762 25.0 0.010 3520 249 SHELXTL 0.063 0.106 1.000
o1157-o115Chen C8H13NO3 171.2 C2/c 294 MoKa tube S SMART CCD 6283 27.6 0.035 2162 112 SHELXTL-NT 0.104 0.153 0.995
o1159-o116Chen C7H11NO3 157.2 P21/n 294 MoKa tube S SMART CCD 5609 27.5 0.038 1945 103 SHELXTL-NT 0.094 0.148 0.995
o1161-o116Kolb C10H9NO3 191.2 P41212 296 MoKa tube R AFC-5S 2438 27.6 0.059 1296 128 PROCESS in TE 0.107 0.105 1.000
o1164-o116Xu C16H18N4O2 298.3 P21/c 293 MoKa tube B CCD 4245 27.1 0.018 1642 137 SAINT 0.053 0.181 0.986
o1166-o116Meyers C12H18O2S 226.3 Pbca 296 MoKa tube R AFC-5S 2878 25.0 0.018 2189 142 PROCESS in TE 0.078 0.120 1.000
o1169-o117Peeters C18H28ClN3 481.9 P21 293 CuKa S P4 4C 2935 0.033 2350 295 XSCANS 0.038 0.107
o1172-o117Kolev C21H22N2O2 334.4 P-1 291 MoKa tube N KappaCCD 12122 27.5 0.044 4161 231 DENZO and SCA 0.116 0.103 0.977
o1174-o117Krishnakuma C30H22O6S 510.5 P21/c 293 CuKa tube EN CAD-4 5012 69.9 0.019 4795 335 CAD-4 Softwar 0.129 0.221 0.949
o1177-o117Sridhar C6H14ClN3O 275.7 P212121 105 MoKa tube B SMART CCD 25355 37.5 0.017 5866 183 SAINT 0.024 0.068 0.991
o1180-o118Yin C17H18O3 270.3 P-1 273 MoKa tube B SMART CCD 5991 25.0 0.034 5058 368 SAINT and SHE 0.141 0.152 0.995
E58 Part 11
i98-i99 Brahim AsCeO4 279.0 P21/n 293 MoKa tube EN CAD-4 1478 27.0 0.024 712 56 MolEN 0.032 0.082 1.000
i100-i102 Hatscher I1La3S8Si2 856.3 C2/c 293 MoKa tube Stoe IPDS 11586 28.1 0.044 1671 66 IPDS Software 0.024 0.040 0.988
i103-i104 Wickleder Na2O3Se 172.9 P21/c 293 MoKa tube Stoe IPDS-I 3856 28.1 0.069 808 55 X-RED 0.056 0.072 0.988
i105-i107 Kolitsch ClCrKO3 174.6 P21/c 293 MoKa tube N KappaCCD 2117 27.9 0.015 1102 56 HKL DENZO and 0.036 0.079 1.000
i108-i110 Guesmi HCoNaO7P2 256.9 P-1 293 MoKa tube EN CAD-4 1246 27.0 0.011 1142 115 MolEN 0.019 0.057 1.000
m609-m610 Woltz C22H22FeN5 556.3 P-1 153 MoKa tube B SMART APEX CCD 9820 28.3 0.035 5174 353 SAINT 0.049 0.108 0.895
m611-m612 Bi C24H52N2O6 648.5 I-42d 293 MoKa tube S SMART CCD 3260 25.0 0.028 1243 77 SAINT 0.026 0.046 0.997
m613-m615 Uria C17H18FeO 294.2 P1 120 CuKa tube N KappaCCD 20199 69.8 0.194 4363 345 HKL DENZO and 0.124 0.301 0.967
m616-m618 Hu C10H8Na2O1 334.1 P-1 298 MoKa tube B AXS SMART 1893 28.1 0.018 1311 117 SAINT 0.057 0.107 0.920
m619-m621 Gainsford C23H53NO8Z 1308.2 Pbca 170 MoKa tube S SMART CCD 75801 26.5 0.095 6435 306 SAINT and SAD 0.095 0.181 0.989
m622-m624 Srinivasan C2H10N2S4W 374.2 P212121 293 MoKa tube Stoe IPDS 8270 28.1 0.040 2308 83 IPDS Program 0.026 0.054 0.999
m625-m627 Greve C4H5.86MnO 219.8 Pn-3n 293 MoKa tube Stoe IPDS 28798 28.0 0.049 908 58 IPDS Program 0.040 0.113 0.980
m628-m630 Hector C20H42Mg3O 611.5 C2 150 MoKa N FR591 R N KappaCCD 4981 27.5 0.026 2628 219 DENZO COLLECT and ma 0.092 0.981
m631-m633 Xu C64H48Ag2M 1585.1 Pbcn 293 MoKa tube S SMART CCD 19737 25.1 0.080 6143 393 XPREP 0.132 0.135 0.995
m634-m635 Wu C4H10CoO8 245.1 P21/n 298 MoKa tube R AFC-7S 1757 26.0 0.019 1624 118 TEXSAN 0.026 0.064 1.000
m636-m638 Gainsford C46H106N2O 1221.6 P-1 170 MoKa tube S SMART CCD 20444 26.3 0.066 6398 300 SAINT and SAD 0.140 0.215 0.984
m639-m640 Nilsson C16H22Cl2O 771.5 P-1 293 MoKa RA B SMART CCD 6421 31.6 0.053 3170 109 SAINT 0.059 0.120 0.908
m641-m643 Soh C22H26N2O2 544.1 C2/c 183 MoKa tube B AXS SMART CCD 9944 30.1 0.019 3524 142 SHELXTL 0.028 0.076 0.997
m644-m646 Meij C12H24Br2N 580.5 P21/n 293 MoKa RA S SMART CCD 8979 29.6 0.075 2475 107 SAINT 0.078 0.084 0.998
m647-m649 He C4H12Br4N5 654.2 P21/n 293 MoKa tube B SMART5.0 CCD 6686 24.8 0.073 2478 129 SAINT 0.083 0.110 0.991
m650-m652 Amini C10H11F3O2 338.9 P212121 293 MoKa RA tube B AXS CCD 10949 26.0 0.026 2465 175 SAINT 0.021 0.051 1.000
m653-m655 Greve C4H4NiO6.7 218.1 Pn-3n 293 MoKa tube Stoe IPDS 7475 26.5 0.026 704 59 IPDS Program 0.039 0.077 0.945
m656-m657 Vieille-Pet C10H11Cl5R 409.5 P21/c 153 MoKa tube STOE IPDS 9749 26.0 0.059 2528 145 INTEGRATE 0.038 0.089 0.929
m658-m660 Davies C20H30Fe3N 690.4 P21/n 293 MoKa tube EN CAD-4 5226 24.0 0.058 4356 291 CAD4 Processi 0.140 0.144 1.000
m661-m662 Chee C38H29F3N6 793.4 P-1 168 MoKa tube B CCD 21865 26.4 0.063 6720 468 SAINT 0.059 0.095 0.990
m663-m665 Twamley C24H36B2Cl 866.6 P21/n 203 MoKa tube B-S SMART 1K 12231 28.3 0.030 3984 233 SAINT-Plus 0.054 0.110 0.963
m666-m668 Chen C27H42N7O1 911.6 P-1 296 MoKa tube S P4 6350 25.0 0.070 6011 493 SHELXTL 0.036 0.089 0.992
m669-m671 Billing C16H24I4N2 959.2 P21/a 293 MoKa B SMART CCD 8011 28.3 0.039 2950 107 XPREP 0.030 0.057 0.995
m672-m673 Xu C39H40ClCo 869.2 P21/c 293 MoKa tube S SMART CCD 12116 25.0 0.041 6918 462 XPREP 0.125 0.177 0.974
m674-m675 Lai C11H13HgNS 423.9 P21/n 183 MoKa tube B AXS SMART CCD 9689 30.0 0.051 3574 137 SHELXTL 0.047 0.108 0.995
m676-m678 Cetina C14H16FeO2 272.1 C2/c 295 MoKa tube Philips PW1100 up 3235 28.9 0.016 3235 155 X-RED 0.049 0.099 0.990
m679-m680 Berenbaum C34H30Cl4C 859.4 P212121 150 MoKa tube N KappaCCD 12795 25.0 0.109 5652 397 DENZO-SMN 0.129 0.128 0.973
m681-m683 Orita C39H22Cl2C 775.4 P21/c 113 MoKa R R-AXIS-IV 18119 27.5 0.019 7523 464 TEXSAN 0.089 0.958
m684-m685 III C4H14Br4N2 528.5 P21/c 298 MoKa tube B SMART APEX 5130 25.1 0.042 1161 53 SAINT 0.030 0.065 0.997
o1182-o118Yu C19H16F3N3 407.4 P-1 297 MoKa tube B SMART 1000 CCD 3860 25.0 0.018 3245 286 SAINT 0.086 0.173 0.995
o1185-o118Ravikumar C4H12NO7P 217.1 Pbca 293 MoKa tube EN CAD-4 2103 25.0 0.016 1570 135 CAD-4 Softwar 0.049 0.091 1.000
o1188-o118Palusiak C20H22O5 342.4 P-1 295 CuKa tube R AFC-5S 3500 72.5 0.082 3319 242 TEXSAN' 0.106 0.157 0.953
o1190-o119Selvanayaga C19H15N7 341.4 P21/n 298 MoKa tube EN CAD-4 3025 25.0 0.018 2901 236 XCAD4 0.066 0.100 0.927
o1193-o119ozbey C8H7N3O3S1 225.2 P-1 295 MoKa EN TurboCAD-4 2173 26.3 0.011 1891 140 XCAD4 0.125 0.998
o1195-o119Zhuang C34H28N4O4 556.6 P-1 298 MoKa tube B SMART CCD 6052 25.0 0.012 5079 388 SHELXTL 0.071 0.133 0.995
o1198-o119Yadav C15H12ClNO 289.7 P21/n 293 MoKa tube EN CAD-4 2571 25.0 0.033 2425 182 MoLEN 0.149 0.174 1.000
o1200-o120Ohba C12H11ClN2 250.7 Pnma 299 MoKa R AFC-7R 1660 27.5 0.024 1477 103 TEXSAN 0.417 1.000
o1202-o120Khan C16H20N2SS 328.6 P21/n 170 MoKa N KappaCCD 5933 25.0 0.026 3293 243 HKL DENZO and SCALEP 0.116 0.989
o1204-o120Butcher C14H18ClN3 327.8 P-1 293 MoKa tube S P4S 3967 27.5 0.016 3681 257 XSCANS 0.088 0.158 0.999
o1207-o120Butcher C14H20Cl3N 528.7 P-1 293 MoKa tube S P4S 4007 25.0 0.015 3743 365 XSCANS 0.062 0.113 0.979
o1210-o121Nandhini C67H62N4O3 971.2 P-1 293 CuKa tube S SMART CCD 10907 58.9 0.051 7313 668 SAINT 0.068 0.147 0.968
o1213-o121Decken C29H36B1N1 505.5 P-1 173 MoKa tube B SMART CCD 30001 32.5 0.022 19380 665 SHELXTL 0.091 0.154 0.957
o1215-o121Kliegel C31H35BNO4 496.4 P21/c 294 MoKa tube EN CAD-4 6443 27.5 0.000 6443 342 local program 0.158 0.054 0.990
o1218-o121Shan C11H13N3O2 219.2 Pbca 298 MoKa tube R AFC-7S 2360 26.0 0.057 2224 145 TEXSAN 0.176 0.197 0.999
o1220-o122Khan C19H23NSi2 321.6 P21/c 180 MoKa R R-AXIS IIc 5136 25.2 0.067 3166 205 HKL DENZO and SCALEP 0.225 0.898
o1222-o122Vasuki C18H13NO 259.3 Pca21 293 MoKa tube EN CAD-4 1686 25.0 0.026 1244 182 MOLEN 0.091 0.099 0.999
o1224-o122Vasuki C29H39NO5 481.6 P212121 293 MoKa tube EN CAD-4 2783 25.0 0.029 2697 308 MolEN 0.098 0.181 0.999
o1227-o122Batsanov C14H12O8 308.2 P-1 100 MoKa tube SMART 1K CCD 3856 25.1 0.094 2328 207 SAINT 0.163 0.171 0.997
o1229-o123Mattheus C33H23 419.5 P21/n 293 MoKa Mo EN CAD-4F 4504 20.0 0.123 2001 299 HELENA 0.199 0.151 1.000
o1232-o123Qi C19H18N5O2 356.4 C2/c 294 MoKa tube B SMART CCD 12125 27.6 0.053 4127 244 SHELXTL-NT 0.144 0.137 0.992
o1234-o123Coruh C16H17BrO2 321.2 P21/c 293 CuKa tube N KappaCCD 33118 69.6 0.100 2511 173 HKL DENZO and 0.048 0.118 0.996
o1237-o123Choudhury C5H9N3S 143.2 P21/c 293 MoKa tube B SMART CCD 5894 26.4 0.031 1534 91 SAINT 0.087 0.191 0.996
o1239-o124Brown C11H10Cl2O 245.1 P21/c 295 MoKa R RA R AFC7R 6026 27.5 0.040 4967 271 teXsan 0.105 0.125 0.999
o1241-o124Govind C21H16Br2N 520.2 P21/c 293 MoKa tube EN CAD-4 3502 25.0 0.095 3389 257 XCAD4 0.240 0.194 0.930
o1244-o124Elgemeie C30H33N3O9 611.7 P212121 173 MoKa tube S P4 7824 27.5 0.022 7289 392 XSCANS 0.064 0.111 0.998
o1247-o124Elgemeie C15H13N3 235.3 P21/n 143 MoKa tube Stoe STADI-4 2717 25.0 0.031 2032 163 REDU4 0.078 0.146 0.998
o1250-o125Elgemeie C17H17N3O3 343.4 P21/n 173 MoKa tube S P4 3893 25.0 0.015 2846 259 XSCANS 0.049 0.089 0.998
o1253-o125Nather C4H4N2O2 112.1 P21/c 293 MoKa tube Stoe IPDS 1450 28.0 0.032 551 38 IPDS Program 0.050 0.106 0.977
o1255-o125Hokelek C15H17N1O2 243.3 P21/c 293 MoKa tube EN CAD-4 2686 26.3 0.024 1583 167 XCAD4 0.174 0.115 1.000
o1258-o126Khan C24H14N2 330.4 P21 170 MoKa N KappaCCD 2838 25.0 0.025 1654 236 HKL DENZO and SCALEP 0.081 0.986
o1261-o126Thinagar C23H21N3O 355.4 P-1 293 MoKa tube S SMART CCD 6584 28.3 0.047 4310 244 SAINT 0.101 0.177 0.940
o1264-o126Thinagar C23H18BrNO 452.4 P-1 293 MoKa tube S SMART CCD 6560 27.5 0.024 4420 255 SAINT 0.053 0.112 0.973
o1267-o126Kolev C11H10N2O3 218.2 P21/m 291 MoKa tube N KappaCCD 4542 27.5 0.029 1243 83 DENZO and SCA 0.127 0.086 0.993
o1269-o127ozbey C18H20ClN3 329.8 P-1 295 MoKa EN CAD-4 3444 26.2 0.007 3216 248 XCAD4 0.090 0.933
o1272-o127Batsanov C9H10O4 182.2 P-1 150 MoKa tube S SMART 1K CCD 9582 27.6 0.024 5970 493 SAINT 0.067 0.102 0.986
o1275-o127Batsanov C9H12O4 184.2 C2/c 295 MoKa tube S SMART 1K CCD 6844 29.0 0.030 2358 167 SAINT 0.059 0.113 0.993
o1277-o127Chan C18H16Cl2N 707.7 C2/c 301 MoKa tube R AFC-7R 2629 25.0 0.037 2399 183 TEXSAN 0.051 25.000
o1280-o128Loughlin C16H22O3S 294.4 P212121 295 MoKa R RA R AFC-7R 2193 27.6 0.034 2094 181 TEXSAN 0.098 0.125 0.997
o1283-o128Jasinski C19H23ClN2 378.8 P-1 296 MoKa tube R AFC-6S 4516 27.5 0.057 4297 277 TEXSAN 0.166 0.159 0.999
o1285-o128Beja C10H19N1O2 185.3 P21 293 CuKa tube EN CAD-4 6050 72.4 0.098 2126 239 HELENA 0.044 0.097 0.996
o1288-o128Robinson C13H16O 188.3 P212121 120 MoKa tube B CCD 16430 26.0 0.056 1220 128 SAINT 0.042 0.080 1.000
o1290-o129Oswald C18H31.50N 369.0 P-1 150 CuKa tube Stoe Stadi-4 4C 3596 70.3 0.028 3416 246 REDU4 0.116 0.178 0.920
o1293-o129Elgemeie C18H19N3O3 357.4 P21/n 173 MoKa tube S P4 3649 25.0 0.013 2995 231 XSCANS 0.054 0.097 0.998
o1296-o129Prasad C10H8ClNO3 225.6 P21/c 293 MoKa tube EN CAD-4 1707 25.0 0.000 1707 137 MolEN 0.082 0.140 0.978
o1298-o130Jones C9H7NO2Se 240.1 Pna21 133 MoKa tube B SMART 1000 CCD 11007 30.0 0.023 2516 119 SAINT 0.019 0.045 0.999
o1301-o130Arrieta C17H14O2 250.3 Cc 152 MoKa tube B P4 8368 28.5 0.044 1622 228 SAINT 0.053 0.141 0.993
o1304-o130Ghomsi C27H27N3O2 425.5 P-1 293 MoKa tube N KappaCCD 7208 25.3 0.037 4048 289 DENZO-SMN and 0.091 0.185 0.960
o1306-o130Rajagopal C7H13NO8 239.2 P21 293 MoKa tube EN CAD-4 1061 25.0 0.018 954 146 CAD-4 Softwar 0.044 0.114 1.000
o1309-o131Reis C6H17ClNO0 146.7 Ccca 293 MoKa tube Stoe IPDS 11427 25.0 0.168 819 54 IPDS Software 0.060 0.100 0.978
o1312-o131Jasinski C22H18N2O2 374.4 P21/n 296 MoKa tube R AFC-6S 4241 27.5 0.032 4057 270 TEXSAN 0.130 0.143 0.997
o1315-o131Smith C14H15N3O1 401.3 P21/n 295 MoKa tube B CCD 11631 25.0 0.019 2985 286 SAINT 0.049 0.110 0.998
o1318-o132Usman C33H25NO 451.5 P-1 183 MoKa tube S SMART CCD 11565 25.0 0.083 8200 632 SAINT and SAD 0.136 0.266 0.967
o1321-o132Deng C19H13N5 311.3 P21/n 293 MoKa tube B SMART CCD 9062 27.1 0.022 3290 218 SAINT 0.058 0.108 0.979
o1323-o132Olmstead C35H72INO3 681.8 P-1 91 MoKa tube B SMART 1000 25283 30.0 0.037 10499 365 SAINT 0.048 0.084 0.981
E58 Part 12
i111-i113 Peng H52La2O54V 1703.6 P21/c 293 MoKa tube EN CAD-4 4226 25.0 0.034 3979 322 TEXSAN 0.044 0.124 0.998
i114-i116 Strukan H8K6Mo6O30 1400.2 C2/m 293 MoKa tube N KappaCCD 6362 36.3 0.013 3364 123 DENZO 0.025 0.065 0.986
i117-i118 Bouzemi As3Cr2Na3O 589.7 Ia-3d 293 MoKa tube Enarf-N CAD-4 735 29.9 0.021 216 18 XCAD4 0.024 0.039 0.969
i119-i120 Tomaszewski AlCsMo2O8 479.8 P-3m1 293 MoKa tube Kuma KM-4 CCD 2447 29.0 0.045 249 18 KM4CCD Data R 0.015 0.043 0.984
i121-i123 Held H8MnO8S 223.1 P121/n1 293 MoKa N MACH3 6258 30.4 0.047 2026 124 MolEN 0.057 0.073 1.000
i124-i126 Hatscher Cl1S6Si1Sm 707.0 Pnma 293 MoKa tube Stoe IPDS 32851 28.1 0.107 2446 116 IPDS Software 0.031 0.038 0.922
i127-i129 Weil Cd3O10Se3 734.1 P21 293 MoKa tube S SMART 4516 30.5 0.023 2497 146 SAINT 0.019 0.044 0.947
i130-i132 Lee H15K5O30Pt 1988.8 C2/m 298 MoKa tube Stoe Stadi-4 3601 27.5 0.000 3601 209 X-RED 0.065 0.160 0.998
m686-m687 Li C18H36EuFe 728.4 P21/n 293 MoKa tube R AFC-7R 7448 31.0 0.050 7067 344 TEXSAN 0.044 0.095 0.717
m688-m690 Zhang C34H30ClMn 727.0 P21/c 293 MoKa tube S SMART CCD 9876 25.0 0.030 5671 450 XPREP in SHEL 0.083 0.153 0.984
m691-m693 Paz C24H26CoN2 529.4 P-1 180 MoKa tube N KappaCCD 3625 22.3 0.063 1374 173 HKL DENZO and 0.055 0.109 0.990
m694-m696 Mariyatra C52H44Br6C 1467.1 Pbcn 120 MoKa tube B SMART 6K CCD 30677 29.2 0.033 7011 377 SAINT-NT 0.040 0.058 0.999
m697-m699 Amini C36H44O10S 1111.5 P21/n 293 MoKa RA tube B CCD 20323 27.5 0.041 4785 230 SAINT 0.049 0.080 0.997
m700-m701 Hamamci C28H30N4Ni 705.4 P21/n 133 MoKa tube B SMART 1000CCD 25119 30.0 0.030 4249 217 SAINT 0.040 0.096 0.999
m702-m704 Yilmaz C28H30CoN4 705.6 P21/n 133 MoKa tube B SMART 1000CCD 27599 30.0 0.024 4281 217 SAINT 0.030 0.074 0.999
m705-m706 Philippopou C61H56MoN2 1101.0 P21/c 180 MoKa tube Stoe STADI-4 4828 25.3 0.098 4820 306 XRED 0.061 0.101 1.000
m707-m709 Schumann C32H46O6Y2 704.5 P21/n 173 MoKa tube S SMART CCD 11359 27.5 0.081 3482 183 SAINT 0.078 0.088 0.996
m710-m711 Valdes-Mart C17H20N4Ni 387.1 P-1 291 MoKa tube S P4/PC 3219 25.0 0.046 3018 226 XSCANS 0.058 0.110 1.000
m712-m714 Valdes-Mart C30H22Cl4C 863.4 P21/n 293 MoKa tube S P4/PC 3043 25.0 0.078 2818 227 XSCANS 0.105 0.173 0.974
m715-m717 Muller C43H42Cl1O 775.1 P-1 293 MoKa B SMART 19116 28.3 0.032 4389 433 SAINT 0.146 0.091 0.883
m718-m720 Weinert C115H87Ag2 1942.4 P21/n 150 MoKa N KappaCCD 63826 27.9 0.060 21401 1153 DENZO and SCALEPACK 0.074 0.989
m721-m723 Ivashevskaj C18H14Cl4C 559.0 P21/n 293 FeKa tube powder diffraction system DRON-4.07 77 local program
m724-m725 Tong C18H11BrNN 700.6 P21/c 293 MoKa tube B SMART APEX CCD 12855 25.5 0.043 4626 280 SAINT 0.091 0.079 0.994
m726-m727 Mohamed C26H27AuBN 698.4 P21/c 110 MoKa tube B SMART 17546 28.3 0.087 6619 319 SAINT 0.054 0.110 0.973
m728-m729 Baranowska C48H108GaL 1194.7 P21/n 199 MoKa tube Stoe IPDS 65926 26.0 0.036 27232 1391 X-RED 0.065 0.111 0.963
m730-m732 Paz C39H48CdN8 885.3 P1 180 MoKa tube N KappaCCD 11297 26.9 0.036 6863 533 HKL DENZO and 0.026 0.066 0.968
m733-m734 Liu C20H16CuI2 629.7 P-1 298 MoKa tube R AFC-7S 4307 26.0 0.013 4074 244 TEXSAN 0.062 0.066 1.000
m735-m736 Kongprakaiw C16H18LiO3 296.2 P21/n 293 MoKa EN TurboCAD-4 2913 25.0 0.023 2635 190 XCAD4 0.130 1.000
m737-m739 Raishbrook C15H26N2O7 397.3 C2/c 150 MoKa tube S SMART 1000 CCD 18722 28.3 0.023 4641 248 SAINT and XPR 0.067 0.144 0.950
m740-m741 Mandolesi C11H32Cl2N 561.7 Pnma 291 MoKa tube N KappaCCD 14378 27.5 0.031 2727 108 DENZO and SCA 0.052 0.063 0.997
m742-m743 Tran C10H10F4Ge 306.8 P-1 298 MoKa tube B SmartApex CCD 2925 25.4 0.058 1007 81 SAINT 0.052 0.052 1.000
m744-m745 Baba C32H32N4S8 859.8 P21/c 298 MoKa tube B CCD 12082 28.2 0.089 4460 210 SAINT 0.065 0.114 0.980
m746-m747 Weng C15H15CuNO 352.8 P21 293 MoKa tube S SMART CCD 2514 27.5 0.034 1757 260 XPREP in SHELXTL 0.046 0.997
m748-m749 Orita C22H8Co2O6 486.2 P121/c1 93 MoKa R RAXIS-IV 14932 27.5 0.037 4090 279 TEXSAN 0.090 0.953
m750-m752 Xu C30H21N9S4 701.2 P-1 293 MoKa tube B SMART CCD 7842 25.0 0.062 5422 398 SMART 0.060 0.088 0.983
m753-m755 Chen C26H46CeN1 844.9 P21/c 293 MoKa tube B SMART APEX CCD 18988 25.0 0.037 6546 431 SAINT 0.065 0.092 0.999
m756-m757 Baba C21H42BiN3 737.9 P-1 183 MoKa tube S SMART CCD 11016 28.3 0.076 7197 280 SAINT 0.070 0.162 0.970
m758-m761 Necefoglu C26H22N4O8 583.9 P21/n 293 MoKa tube EN TurboCAD4 5409 26.3 0.031 5124 440 XCAD4 0.054 0.095 1.000
m762-m764 Wen C14H20N2Ni 573.7 P21/c 293 MoKa tube S SMART CCD 6851 25.0 0.025 3767 355 SMART 0.051 0.112 0.981
m765-m767 Medina C15H15CuN3 412.8 P21/n 300 MoKa B P4 4687 27.5 0.023 3706 235 XSCANS 0.045 0.099 0.999
m768-m769 Cheng C13H14Cl2N 407.6 P21/n 293 MoKa tube S SMART CCD 4510 25.0 0.019 2600 181 SHELXTL 0.041 0.078 0.976
m770-m771 Xu C22H18AgF3 587.3 C2/c 293 MoKa tube B CCD 12912 28.3 0.065 5118 380 SHELXTL 0.057 0.123 0.939
m772-m774 Xu C16H16NNiS 601.7 P21/n 293 MoKa tube B P4 5307 25.0 0.030 4204 253 XSCANS 0.075 0.136 0.997
m775-m776 Ariya C30H24Cl8F 919.7 P21/c 100 MoKa tube N KappaCCD 50254 30.0 0.054 6113 424 DENZO and SCA 0.056 0.072 0.990
m777-m778 Sitzmann C27H38MoO3 506.5 P21/n 293 MoKa tube Stoe IPDS 18023 25.4 0.097 4495 281 INTEGRATE in 0.075 0.062 0.932
o1325-o132Batsanov C9H12O4 184.2 P21/c 150 MoKa tube SMART 1K CCD 12920 29.0 0.049 4594 331 SAINT 0.071 0.123 0.994
o1328-o132Batsanov C9H10O4 182.2 P21/c 150 MoKa tube SMART 1K CCD 6167 29.0 0.039 2187 159 SAINT 0.061 0.106 0.987
o1330-o133Seshadri C26H33NO3 407.5 P21/n 293 MoKa tube EN CAD-4 4093 25.0 0.043 3914 278 XCAD4 0.116 0.180 1.000
o1333-o133Shan C14H12N4O4 300.3 P21/c 298 MoKa tube R AFC-7S 2921 26.0 0.025 2694 201 TEXSAN 0.135 0.142 0.999
o1336-o133Selvanayaga C9H11N3OS 209.3 Pbca 293 MoKa tube S SMART CCD 13626 28.3 0.079 2547 128 SAINT 0.069 0.126 0.883
o1339-o134Wang C46H38O6 686.8 P21/c 296 MoKa RA MAC DIP 2030K 5896 26.3 0.032 3101 235 SCALE 0.124 1.100
o1341-o134Saraogi C7H7ClN2O 170.6 P21/c 293 MoKa tube B SMART CCD 4456 25.0 0.049 1329 108 SAINT 0.081 0.143 0.996
o1343-o134Florke C10H14O5 214.2 P-1 153 MoKa tube SMART APEX CCD 3269 28.3 0.035 2342 138 SAINT 0.047 0.116 0.871
o1345-o134Parkin C8H11NO3 169.2 P21/n 150 MoKa tube B SMART APEX CCD 4516 26.4 0.052 1650 126 SAINT 0.081 0.153 0.998
o1348-o135Parkin C9H9.67NO6 233.2 P-1 220 CuKa tube Stoe Stadi-4 4C 8429 69.9 0.020 5000 511 REDU4 0.051 0.122 0.932
o1351-o135Cherouana C4H12N2O8S 248.2 Pbca 293 MoKa tube N KappaCCD 12129 26.4 0.092 1997 164 DENZO and SCA 0.037 0.098 0.981
o1354-o135Goldcamp C9H18N4O3 230.3 I-43d 150 MoKa tube SMART 1K Platform 15298 28.2 0.064 573 51 SAINT 0.043 0.104 0.998
o1356-o135Ravishankar C60H56F24N 1477.0 P21/c 183 MoKa tube S SMART CCD 18437 28.4 0.114 7565 446 SAINT 0.113 0.149 0.966
o1359-o136Vasuki C25H29NO2 375.5 P212121 293 MoKa tube EN CAD4 2222 25.0 0.008 2172 253 MolEN 0.064 0.108 1.000
o1361-o136Vasuki C22H33NO 327.5 P212121 293 MoKa tube EN CAD-4 1992 25.0 0.027 1910 217 MolEN 0.087 0.120 0.984
o1363-o136Borbulevych C17H17N3O6 359.3 P-1 293 MoKa tube S P3 6198 25.0 0.038 5875 469 XDISK 0.083 0.169 0.977
o1365-o136Wang C23H19N3O2 369.4 P-1 293 MoKa tube B SMART 1000 CCD 3405 23.3 0.024 2830 254 SAINT 0.099 0.141 0.991
o1367-o136Yin C26H30O7 454.5 P21/c 293 MoKa tube B CCD 10041 25.0 0.038 4346 305 SAINT and SHE 0.104 0.138 1.000
o1370-o137Wu C14H8BrNO2 302.1 P21/n 298 MoKa tube R AFC-7S 3208 27.5 0.059 1882 163 TEXSAN 0.123 0.054 0.999
o1372-o137Sridhar C8H15N3O11 329.2 P212121 293 MoKa tube EN CAD-4 1640 25.0 0.020 1578 212 CAD-4 Softwar 0.109 0.118 1.000
o1375-o137Britton C18H12F4I2 586.1 P21/n 173 MoKa tube S SMART 9767 27.5 0.034 2234 120 SAINT 0.034 0.073 0.989
o1378-o138Haghiri C9H8N2 144.2 P-1 148 MoKa tube S SMART CCD 40438 27.5 0.038 14026 596 SAINT 0.076 0.124 0.950
o1381-o138alvarez-Rua C10H10BF4I 371.9 P21/c 120 CuKa tube N KappaCCD 9437 69.8 0.029 4821 328 HKL DENZO and 0.055 0.141 0.986
o1384-o138Stasko C8H12N2O2 168.2 P21/c 293 MoKa tube B P4 4084 27.5 0.019 3893 217 SHELXTL 0.079 0.107 0.995
o1387-o138Luck C11H14O7 258.2 P21/c 293 MoKa EN TurboCAD-4 2218 25.0 0.027 2113 172 XCAD4 0.113 1.000
o1389-o139Tong C15H17BClN 257.6 P21/n 180 MoKa tube B SMART APEC CCD 5435 25.0 0.037 2355 165 SAINT 0.088 0.139 1.000
o1392-o139Doriguetto C19H24O5 332.4 P212121 120 MoKa N KappaCCD 3592 27.5 0.023 2074 219 HKL DENZO and SCALE 0.122 0.996
o1395-o139Homrighause C13H19Cl3N 309.7 P21/c 293 MoKa tube S P3 3573 27.6 0.026 3403 199 XDISK 0.072 0.130 0.986
o1397-o139Bouchouit C5H11N7O9 313.2 P21/c 293 MoKa tube N KappaCCD 8447 26.4 0.049 2447 234 DENZO and SCA 0.053 0.124 0.962
o1400-o140Li C14H11NO2 225.2 P-1 293 MoKa tube S SMART CCD 3296 27.0 0.011 2408 187 SAINT and SAD 0.087 0.153 0.964
o1402-o140Usman C24H19Cl2N 488.4 P212121 293 MoKa tube S SMART CCD 14401 28.3 0.016 5601 291 SAINT 0.036 0.078 0.997
o1405-o140Sundar C19H17NO3S 339.4 P21/c 293 CuKa tube N KappaCCD 21038 68.2 0.051 2926 218 HKL DENZO and 0.044 0.104 0.994
o1408-o141Blake C13H10N8 278.3 P21/n 298 MoKa tube Stoe Stadi-4 4C 3374 22.5 0.117 1688 190 X-RED 0.173 0.168 0.999
o1411-o141Clegg C21H18O4 334.4 P-1 160 MoKa tube B SMART 1K CCD 5885 25.0 0.023 2885 229 SAINT 0.065 0.112 0.989
o1413-o141Clegg C22H21NO3 347.4 P21/c 160 MoKa tube B SMART 1K CCD 12142 25.0 0.026 3052 238 SAINT 0.057 0.120 0.999
o1415-o141Sawatzki C11H22N2O4 246.3 P212121 123 MoKa tube N Kappa-CCD 19820 28.3 0.032 3362 159 HKL DENZO and 0.039 0.090 0.993
o1418-o142Loughlin C13H16O3S 252.3 P21/n 295 MoKa R RA R AFC-7R 3202 27.5 0.041 2943 154 TEXSAN for Wi 0.065 0.130 0.999
o1421-o142Chen C8H13NO3 171.2 P21/n 294 MoKa tube S CCD 12544 27.6 0.057 4308 223 SHELXTL 0.167 0.156 0.992
o1423-o142Chen C13H15NO3 233.3 Pbca 294 MoKa tube S CCD 15490 27.5 0.056 2820 157 SHELXTL 0.097 0.118 0.996
o1425-o142Chen C9H15NO3 185.2 Pbca 294 MoKa tube S CCD 13157 27.5 0.116 2384 123 SHELXTL 0.179 0.198 0.993
o1427-o142Usman C18H15NO5 325.3 P-1 293 MoKa tube S SMART CCD 9032 27.0 0.012 6518 509 SAINT and SAD 0.049 0.120 0.963
o1430-o143Deng C17H19N2O2 378.4 Pn 293 MoKa tube B SMART CCD 15649 25.0 0.042 10230 866 SHELXTL 0.093 0.103 1.000
o1432-o143Jones C11H6ClO3P 252.6 P212121 173 MoKa tube Stoe Stadi-4 3936 27.5 0.038 2367 145 REDU4 0.044 0.083 0.998
o1434-o143Jones C11H6ClO3P 252.6 P-1 143 MoKa tube B SMART 8958 30.0 0.027 3053 145 SAINT 0.033 0.088 0.987
o1436-o143Jones C7H6N2O3 166.1 P21/c 173 MoKa tube S SMART 4603 28.0 0.042 1746 117 SAINT 0.063 0.120 0.983
o1439-o144Raine C18H20 236.3 P21/c 296 MoKa EN CAD-4 2542 25.0 0.028 2385 164 XCAD4 0.116 0.194 0.999
o1441-o144Thinagar C34H24Cl2O 599.4 P-1 293 MoKa tube EN CAD-4 2312 23.7 0.122 2056 191 XCAD4 0.288 0.159 0.999
o1444-o144Shan C15H14N4O4 314.3 P21/c 298 MoKa tube R AFC-7S 3168 26.0 0.065 2920 210 TEXSAN 0.173 0.151 0.998
o1446-o144Prasad BrC10H9N2O 285.1 P-1 293 CuKa tube EN CAD-4 2079 69.9 0.026 1912 147 MolEN 0.086 0.186 0.926
o1449-o145Fagnou C68H70N4O5 1023.3 P31 150 MoKa tube N KappaCCD 49468 26.0 0.023 5415 708 DENZO-SMN 0.044 0.090 0.998
o1452-o145Thinagar C24H23ClN4 402.9 P-1 293 MoKa tube S SMART CCD 14581 28.3 0.048 9579 527 SAINT 0.079 0.160 0.918
o1455-o145Shi C10H18N2O5 310.4 P3221 293 MoKa tube B CCD 4241 26.3 0.048 1262 197 SAINT and SHE 0.061 0.094 0.904
o1458-o145Nesterov C11H12N4 200.3 P21/n 295 MoKa tube EN CAD-4 2560 27.0 0.031 2381 139 SHELXTL 0.114 0.111 0.989
o1460-o146Xie C18H24O3 288.4 P21/c 296 MoKa tube R AFC-5S 3052 25.0 0.020 2846 195 PROCESS in TE 0.160 0.134 1.000
o1463-o146Usman C16H12Cl2O 307.2 P-1 213 MoKa tube S SMART CCD 3750 27.0 0.066 2753 182 SAINT and SAD 0.082 0.199 0.958
----------------------------------------------------------------------------------------------------------------------------------------------------------
Page Auth Formula Mr SPG Temp Source Device Obs.REF Qmax Rint NREF Npar Data reduction Rall wRall Fraction
==========================================================================================================================================================
Back