X-Ray Sources and Detectors Found in
Acta Crystallographica Section C61 (2005)
Summary
A total of manuscripts found in Acta C (2005) = 437
1. X-Ray source 2. Source type 3. Temp condition 4. Detector type
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Total = 439 Total = 394 Total = 437 Total = 429
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Mo = 406 (92.5%) Tube = 330 (83.8%) Room temp. = 240 (54.9%) AFC = 92 (21.4%)
Cu = 19 (4.3%) RA = 53 (13.5%) CCD = 277 (64.6%)
Neutron = 4 (0.9%) Neutron = 4 (1.0%) Controled = 197 (45.1%) IP = 60 (14.0%)
SR = 7 (1.6%) SR = 7 (1.8%) Multiwire= 0
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SR=synchrotron; RA=rotating anode
C61 (2005) EN=Enraf-Nonius; N=Nonius; R=Rigaku; B=Bruker; S=Siemens; 4C=four circle
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Part PageAuth Formula Mr SPG CtempR_typeR_src Device REFallQmax Rint REFrefNpara Reduction Rall wRall Fraction
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1 e1 Ferguson
1 e2-e 2004
1 i1-iKlein Ag3O4Ru 488.7 P4122 293 MoKa tube B SMART APEX CCD area 4499 27.8 0.059 510 41 SAINT32 0.032 0.078 0.997
1 i3-iZehnder C2H5K4O12.50U 623.5 P21/n 293 MoKa tube B P4 with SMART 1K CC 9687 25.0 0.029 3046 176 Please provide mis 0.049 0.095 0.886
1 i6-iJack Ca2FN 113.2 Fd-3m 100 MoKa tube B SMART APEX CCD 2393 28.3 0.031 83 10 SAINT-Plus 0.029 0.064 1.000
1 m1-mIcbudak C8H16CoN2O12S2 455.3 C2/c 293 MoKa tube Stoe IPDS 2 9404 25.8 0.072 1548 132 X-RED 0.036 0.068 0.995
1 m4-mXu C22H32Cu2I2N8 789.4 C2/c 193 MoKa tube R Mercury CCD area-de 15314 27.5 0.041 3187 155 CrystalStructure 0.051 0.082 0.998
1 m7-mLi C50H36Cl2Cu2N12 1226.9 C2/c 293 MoKa tube S SMART CCD area-dete 8436 25.1 0.040 4441 355 SAINT 0.100 0.198 0.990
1 m10-Gao C10H15Cl2Cu2N5O 499.3 P-1 298 MoKa tube SMART 1K CCD area-det 3388 25.0 0.018 2826 226 SAINT 0.051 0.100 0.980
1 m13-Gao C38H40Cl4Fe2N8O 1166.3 C2/c 293 MoKa tube S SMART CCD area-dete 7191 25.1 0.045 4002 326 SAINT? & XPREP in SHELXT 0.191 0.984
1 m16-Su C34H32Cd2N4O14S 1009.6 C2/c 173 MoKa RA R Mercury70 14147 27.5 0.028 4254 273 CrystalClear 0.029 0.060 0.997
1 m19-Li C28H22CuN4O6 574.0 P21/n 295 MoKa tube R R-AXIS RAPID 18148 25.0 0.031 4320 352 CrystalStructure 0.052 0.084 0.990
1 m22-Gao C10H6Ag2O6S2 502.0 P-1 293 MoKa tube R R-AXIS RAPID 2425 27.5 0.035 1264 92 CrystalStructure 0.035 0.092 0.982
1 m25-Gao C20H22MnN2O9 489.3 P-1 293 MoKa tube R R-AXIS RAPID 10496 27.5 0.014 4928 307 CrystalStructure 0.040 0.094 0.990
1 m30-Vivar C24H28N4O8S2Zn2 695.4 P_-1 296 MoKa tube B SMART CCD area-dete 2037 25.0 0.079 2037 191 SAINT-NT 0.072 0.182 0.644
1 m34-Dale C88H83CoI2N9S7 1803.9 P-1 150 MoKa tube B SMART 1000 CCD diff 49288 26.0 0.027 19601 987 SAINT 0.061 0.064 0.883
1 m40-Dale C60H50Br6N2P2Pd 1617.3 Cc 150 MoKa tube B SMART 1000 CCD diff 24282 27.5 0.032 12639 732 SAINT 0.046 0.082 0.988
1 m43-Jin C12H18Cl4N4Zn1 425.5 P-1 273 MoKa tube B Smart Apex CCD area 4948 25.2 0.012 3272 192 SAINT 0.040 0.087 0.981
1 m46-Zeller C9H14Cl4CoN4 379.0 C2/c 173 MoKa N FR591 RN KappaCCD area-detec 32195 25.2 0.044 2784 166 DENZO 0.031 0.067 0.996
1 m48-Zhao C12H12CuN2O7 359.8 P21/n 293 MoKa R R-AXIS RAPID area-d 7065 26.0 0.045 2498 199 PROCESS-AUTO 0.058 0.094 0.983
1 m51-Parvez C5H9Cl3GeO2 280.1 P21/c 173 MoKa tube N KappaCCD 8438 27.5 0.037 4760 201 SCALEPACK 0.072 0.079 0.994
1 m55-Palusiak C17H24FeINO 441.1 P212121 293 MoKa R AFC-5S 14192 26.0 0.051 3559 191 TEXSAN 0.044 0.997
1 m58-Bacsa C2H4CoO6 183.0 C2/c 298 MoKa tube B SMART APEX CCD area 1722 27.4 0.020 565 50 SAINT 0.033 0.089 0.993
1 o1-oBortoluzziC11H2Cl5N3O 369.4 P21/c 193 MoKa tube EN CAD-4 diffractomet 4607 25.1 0.089 4476 361 HELENA 0.046 0.111 0.997
1 o4-oChecinska C11H2Cl5N3O 369.4 P21/c 193 MoKa tube EN CAD-4 diffractomet 4607 25.1 0.089 4476 361 HELENA 0.046 0.111 0.997
1 o7-oLow C10H10ClNOS2 259.8 P21/c 120 MoKa tube N KappaCCD area-detec 22106 25.0 0.136 2756 137 EvalCCD 0.156 0.139 0.993
1 o10-Wardell C13H10N4O4 286.3 P21/n 120 MoKa RA N KappaCCD 16111 27.5 0.040 2798 190 DENZOSMN 0.055 0.112 0.995
1 o15-Silva C8H10N2O4 198.2 P21/c 291 MoKa tube B SMART 1000 CCD area 7606 32.5 0.022 3198 131 SAINT 0.102 0.207 0.989
1 o21-Velde C30H34O8 522.6 P21/c 293 Moka EN MACH3 5016 25.0 0.113 2308 180 XCAD-4 0.142 0.137 1.000
1 o25-Slepokura C6H13N3O4 191.2 P212121 100 MoKa tube Kuma KM4 CCD \k-geome 5278 27.0 0.077 1066 170 CrysAlisRED 0.050 0.081 0.983
1 o29-Zhang C17H14O5 298.3 P21/n 296 MoKa tube S P4 3089 25.3 0.010 2485 203 SHELXTL 0.054 0.087 1.000
1 o32-EsterhuyseC28H32O5 448.5 P212121 100 MoKa tube B SMART APEX CCD area 13603 26.0 0.055 2743 304 SAINT 0.053 0.082 0.999
1 o35-Britton C13H9NO 195.2 C-1 174 MoKa tube S SMART area detector 22798 27.0 0.025 8628 558 SAINT 0.071 0.119 0.993
1 o38-Zhang C14H14N4O4 302.3 P-1 298 MoKa tube R R-AXIS RAPID 3428 27.5 0.011 1601 101 R-AXIS RAPID Diffr 0.052 0.138 0.982
1 o41-Ravikumar C13H17N3O2S 279.4 P-1 273 MoKa tube CCD Area Detector 8102 25.0 0.017 3227 182 SAINT 0.044 0.115 0.946
1 o45-Rozycka-SoC15H16O2 228.3 P21/c 293 MoKa BSW tube DARCH-1 5620 27.4 0.006 2810 158 DARCH software 0.067 0.136 1.000
1 o47-Chivers C18H32B3F2N3 360.9 C2/c 173 MoKa tube N KappaCCD area-detec 4451 27.5 0.019 2327 140 SCALEPACK 0.049 0.124 0.980
1 o50-Sikorski C22H17NO2 327.4 P-1 293 MoKa tube Kuma KM-4 3507 26.0 0.017 3337 227 KM-4 Software 0.111 0.125 1.000
1 o53-Bomfim C16H14N4O4 326.3 P21/n 291 MoKa tube B SMART 1000 CCD area 7869 32.6 0.020 2717 109 SAINT 0.065 0.158 0.987
1 o57-Glidewell C8H4F2N2O3 214.1 P21/c 120 MoKa BN FR591 BN KappaCCD 18600 27.5 0.033 3611 271 DENZO & COLLECT 0.045 0.090 0.991
1 o60-Seela C12H17N5O4 295.3 P212121 293 MoKa tube B P4 2800 29.0 0.040 2100 205 SHELXTL 0.125 0.113 0.999
1 o63-Belyakov C14H11Cl3N4O2 373.6 P-1 293 MoKa tube N KappaCCD 10330 30.0 0.070 4339 211 DENZO & SCALEPACK 0.059 0.130 0.966
2 i9-iGustafssonO12P3Rb2TiYb 676.8 P213 293 MoKa S SMART CCD diffracto 19443 33.1 0.053 1338 60 SAINT & SADABS 0.024 0.056 0.988
2 i14-Kuratieva H4O4P2Sr 217.6 C2/c 293 MoKa tube EN CAD-4 530 25.0 0.040 477 40 CADDAT 0.058 0.072 1.000
2 i17-SmolentsevClLiO2 74.4 P42/ncm 293 MoKa tube EN CAD-4 134 25.0 0.017 133 13 CADDAT 0.087 0.097 1.000
2 i20-Redhammer CaO6Si2Zn 257.6 C2/c 298 MoKa STOE IPDS-I 2095 28.1 0.029 527 48 X-AREA 0.058 0.978
2 i23-Emme B4Gd2O9 501.7 P-1 293 MoKa tube N KappaCCD area-detec 10001 37.9 0.045 3007 137 HKL DENZO & SCALEP 0.036 0.050 0.985
2 m61-Dai C20H20CoN2O8 475.3 P-1 293 MoKa tube S SMART CCD area-dete 2498 25.1 0.040 1664 156 SANT &? XPREP in SHELXTL 0.183 0.990
2 m64-Villiers C24H48Cl7O7SmTi 942.9 C2/c 100 MoKa tube N KappaCCD area-detec 11856 25.7 0.035 3384 187 DENZOSMN 0.026 0.054 0.985
2 m67-Wang C20H17N3O3Pd 453.8 P21/a 296 MoKa tube R R-AXIS RAPID 16994 27.5 0.021 3988 245 CrystalStructure & 0.023 0.054 0.997
2 m71-Angaridis C43.50H40BClF4N 1017.2 Pnna 213 MoKa tube B SMART 1000 CCD 54752 27.5 0.030 10087 565 SAINT 0.075 0.144 0.998
2 m74-Cornet C12H30Br4P2Pt2 946.1 C2/c 120 MoKa tube B SMART CCD 1K area-d 10540 27.0 0.036 2355 94 SMART-NT &/or SAIN 0.023 0.046 0.995
2 m76-Bekaert C9H21Br4N3O6Zn2 717.7 P63 293 MoKa tube EN CAD-4 6629 30.0 0.130 1109 75 XCAD4 0.071 0.088 0.984
2 m78-Zhang C38H34Mn2N6O8 812.6 Pca21 293 MoKa tube S SMART CCD 26202 27.5 0.027 7506 487 SAINT 0.043 0.101 0.997
2 m81-Li C72H58Dy2N4O12 1496.2 P-1 293 MoKa tube B SMART CCD area-dete 16586 25.0 0.033 11165 811 SAINT 0.081 0.121 0.995
2 m84-Chiang C36H26GeP2S4 721.3 P21/c 298 MoKa R AFC-7S 6696 26.0 0.026 6369 389 TEXSAN 0.094 1.000
2 m87-Guo C12H12N2O12P2Zn 568.9 P21/c 292 MoKa tube B SMART CCD area-dete 17073 33.5 0.033 6748 271 SAINT 0.053 0.097 0.958
2 m90-Millar C16.5H33Au2Cl1O 808.7 C2/c 100 MoKa tube B SMART CCD area-dete 18988 27.5 0.018 5101 262 SAINT 0.025 0.052 0.975
2 m93-Pasaoglu C6H12Cu1N4O1S2 283.9 Cc 293 MoKa tube Stoe IPDS-II 7769 26.0 0.067 2231 131 X-RED32 0.046 0.059 1.000
2 m95-Wei C18H16BrN2O5Re 606.4 P21/n 90 MoKa tube B SMART APEX CCD dete 21761 31.5 0.035 6164 246 SAINT-NT 0.035 0.063 0.994
2 m98-Bai C10H6CuN4O8 373.7 P21/n 293 MoKa tube R R-AXIS RAPID imagin 4554 28.0 0.024 3038 210 teXsan 0.062 0.101 0.996
2 m101Yang C58H66Co2N16O14 1329.1 P-1 193 MoKa RA R R-AXIS RAPID 13292 25.2 0.032 6778 408 PROCESS-AUTO 0.066 0.089 0.956
2 m104Duarte C10H20ClN3Ti 265.6 P21/c 298 CuKa EN CAD-4 3232 66.9 0.111 2406 143 XCAD4 0.069 0.142 0.998
2 m107Glidewell C12H10Hg 354.8 P21/n 120 MoKa BN FR91 RN KappaCCD 7117 27.5 0.034 1098 62 DENZO & COLLECT 0.026 0.045 0.994
2 m109Angaridis C38H44N4O12Ru2 950.9 P21/c 213 MoKa tube B SMART 1000 12766 27.6 0.043 4460 342 SAINT 0.076 0.134 0.992
2 m112Li C36H76Co3N6O38S 1506.1 P2~1~/c 298 MoKa tube B SMART CCD area dete 16014 25.1 0.057 5517 425 SAINT 0.083 0.144 0.998
2 m115Rojas C46H52Cl2Cu2N6O 1046.9 P21/c 571 MoKa tube S SMART CCD area-dete 12077 25.1 0.030 4218 299 SAINT-NT 0.077 0.183 0.997
2 o65-Shimada C16H112BrNO38 1007.0 Pmma 93 MoKa R R-AXIS RAPID 35341 30.0 0.068 4988 155 CrystalStructure 0.156 0.995
2 o67-Seela C10H13BrN6O3 345.2 P212121 293 MoKa tube B P4 4231 30.0 0.042 3682 199 SHELXTL 0.091 0.139 1.000
2 o70-Solomon C27H30O7 466.5 P212121 293 CuKa tube EN CAD-4 2806 75.2 0.119 2695 355 XCAD4 0.084 0.183 0.991
2 o73-Wang C25H20N4 376.5 Pc 293 MoKa EN CAD-4 3793 26.0 0.035 1920 343 XCAD4 0.071 0.996
2 o75-Glidewell C27H27N7O6 545.6 P-1 120 MoKa BN FR91 RN KappaCCD diffractom 26427 27.6 0.080 5891 362 DENZO & COLLECT 0.100 0.124 0.991
2 o78-Sonar C15H10N2S 250.3 P21/c 90 MoKa tube N KappaCCD diffractom 9660 27.4 0.087 2713 189 DENZOSMN 0.090 0.116 0.993
2 o81-Rath C17H15ClO4 318.7 Pbca 160 MoKa tube B SMART CCD area-dete 47753 27.5 0.036 3497 259 SAINT 0.049 0.099 0.999
2 o85-Ebead C15H15ClN2O 274.7 C2/c 293 CuKa tube Kuma KM-4 5227 81.1 0.038 2909 228 KM-4 Software 0.088 0.136 0.986
2 o88-Bialonska C26H41.50N2O12. 586.1 P1 100 MoKa tube Kuma KM4 CCD 16810 28.0 0.045 6655 739 CrysAlisRED 0.043 0.081 0.992
2 o92-Avecilla C33H43Cl2N5O12 772.6 C2/c 298 MoKa tube S SMART CCD area-dete 13616 28.3 0.033 4630 262 SHELXTL 0.112 0.214 0.996
2 o95-HemamaliniC6H11N3O4S 221.2 P21/c 293 MoKa tube Kuma KM-4 CCD \k-geom 7253 25.7 0.026 1793 172 CrysAlis RED 0.031 0.072 0.993
2 o98-Jarak C12H22ClN3O 259.8 P-1 296 MoKa tube Oxford Diffraction Xc 9188 27.0 0.022 3183 184 CrysAlis 0.062 0.145 0.985
2 o101Yilmaz C17H18N4O 294.4 P21/c 293 MoKa tube Stoe IPDS 2 20832 26.1 0.053 3008 209 X-RED32 0.059 0.106 0.996
2 o105Smith C13H14FNO7S 347.3 P21 295 MoKa tube B SMART CCD area-dete 3741 25.0 0.026 2360 237 SAINT 0.030 0.073 0.995
2 o110Gao C24H18N4 362.4 P-1 293 MoKa N KappaCCD area-detec 10946 27.5 0.036 2101 164 HKL DENZO & MAXUS 0.059 0.110 0.987
2 o112Aucott C48H40BNSSe 752.6 P21/c 150 MoKa tube B SMART 1000 CCD area 32563 27.5 0.078 9135 470 SAINT 0.051 0.116 0.909
2 o114Li C17H13ClFNO3 333.7 P-1 293 MoKa tube B SMART CCD area-dete 4071 25.0 0.017 2747 208 SAINT 0.063 0.111 0.994
2 o118SarangarajC6H12N2O8 240.2 P-1 120 MoKa BN FR91 RN KappaCCD? 4586 26.5 0.048 1143 74 DENZO & COLLECT 0.046 0.136 0.983
2 o122Li C15H9Cl1F3NO5 375.7 P21/c 293 MoKa tube B SMART CCD area-dete 16078 25.0 0.087 5616 475 SAINT 0.184 0.163 1.000
3 i25-Dong Ag0.50Nb2PRb0.3 623.6 P-1 293 MoKa MacScience MXC3 2797 27.5 0.018 2666 134 MXC3 Software 0.051 0.067 0.922
3 i27-Santos Al0.41Cr1.42Fe0 194.9 Fd-3m 298 MoKa tube S P4 5083 0.5 0.049 220 14 XSCANS 0.016 0.041 1.000
3 i29-Emme Sm2B4O9 487.9 C2/c 293 MoKa tube STOE IPDS 9846 26.5 0.024 2709 340 Please provide mis 0.019 0.029 0.930
3 i32-Wu B4Ca4Na4O12 487.5 Pmmn 295 R Rint 2400 51 HIGHSCORE
3 i35-Norberg Al6O13Ti2 465.7 C_m_2_m 293 MoKa tube R R-AXIS RAPID Query 4576 45.3 0.053 1995 70 RAPID AUTO & DIFDA 0.082 0.123 0.997
3 m117Aygun C16H14CdN6Ni 461.4 C2/m 293 MoKa tube EN CAD-4 1793 26.3 0.025 972 73 MolEN 0.030 0.084 0.999
3 m119Sengul C12H12CuN2O8 375.8 P-1 296 MoKa tube Stoe IPDS-II 5001 26.0 0.057 1341 118 X-RED 0.035 0.071 1.000
3 m122Li C87H109Co2Cu3N2 1877.5 P-1 293 MoKa tube S SMART CCD 12146 25.0 0.030 8189 557 SAINT 0.094 0.200 0.967
3 m125SoleimanneC30H35ClN2O4RuS 656.2 P21 150 MoKa tube B SMART1000 CCD area- 9704 25.0 0.049 5928 352 SHELXTL 0.055 0.083 0.995
3 m127Goreshnik C16H12Cl6Cu4N4 737.2 P-1 295 CuKa EN CAD-4 2615 73.4 0.106 2443 136 Corinc 0.071 0.175 1.000
3 m130Li C20H16N2O9PbS 667.6 P-1 298 MoKa tube B APEX area-detector 7489 25.1 0.022 3638 306 SAINT 0.026 0.058 0.989
3 m133Gao C20H18MnN4O4 433.3 P21/n 296 MoKa tube R R-AXIS RAPID 8483 27.5 0.019 2012 136 CrystalStructure 0.031 0.095 0.996
3 m136Gainsford C36H74B4Na4O18 930.2 P-1 163 MoKa tube B SMART CCD area-dete 7185 26.6 0.000 7185 565 SAINT & SADABS 0.082 0.154 0.711
3 m139Comerlato C41H72N2O3S12Sn 1144.4 P212121 120 MoKa EN FR591 EN KappaCCD area-dete 43550 27.5 0.081 12433 532 DENZO & COLLECT 0.084 0.110 0.997
3 m144Bian C16H14ClMnN3O3 386.7 P21/c 150 MoKa R/MSC Mercury CCD are 13156 27.5 0.023 3530 217 TEXSAN 0.062 1.000
3 m147Lu C18H24Cl2CuN6O1 682.9 P21/n 293 MoKa RA R R-AXIS RAPID IP 6132 27.5 0.067 6132 370 CrystalStructure 0.136 0.112 0.994
3 m151Zaleski C16H28CuN14O6 576.1 P21/c 100 MoKa tube Oxford Diffraction Xc 7990 26.0 0.085 2386 215 CrysAlis RED 0.093 0.089 0.988
3 o127Rodriguez C12H4N8O12 452.2 P21 298 MoKa tube B SMART CCD area-dete 10081 26.0 0.028 6076 578 SAINT & SADABS 0.077 0.086 0.994
3 o131Andrade C23H34O5 390.5 P212121 293 MoKa tube EN CAD-4 diffractomet 5566 27.6 0.035 2812 257 HELENA 0.113 0.127 0.998
3 o134Aucott C9H15NO3S 217.3 P21/c 150 MoKa tube B SMART 1000 CCD area 8693 26.0 0.037 2510 142 SAINT 0.041 0.094 0.908
3 o138Rodriguez C11H16O5 228.2 P21/c 295 MoKa tube N KappaCCD 8698 27.6 0.043 2404 147 HKL Denzo & Scalep 0.057 0.121 0.983
3 o143Davey C21H25NO 307.4 C2/c 293 MoKa N KappaCCD 6626 25.0 0.032 3073 210 HKL Denzo & Scalepack 0.159 0.990
3 o145Garden C7H7IN2O3 294.1 P-1 120 MoKa BN FR91 RN KappaCCD area-detec 8665 27.5 0.039 2061 119 DENZO & COLLECT 0.032 0.053 0.992
3 o148Ucar C13H10N2O6 290.2 P-1 293 MoKa tube Stoe IPDS 2 8629 25.9 0.087 2475 193 X-RED32 0.135 0.154 0.992
3 o151Seela C11H14N4O4 266.3 P212121 293 MoKa tube B P4 2301 28.0 0.043 1679 179 SHELXTL 0.081 0.120 1.000
3 o154Firley C11H11NO4 221.2 P-1 100 MoKa tube B SMART CCD area-dete 3364 30.1 0.008 2364 189 SAINT-Plus 0.043 0.109 0.847
3 o158Cetina C10H14N2O3 210.2 P212121 293 MoKa tube Philips PW1100 update 5738 29.0 0.047 1574 168 X-RED 0.069 0.108 0.996
3 o161Bialonska C21H25ClN2O7 452.9 P21 100 MoKa tube Kuma KM-4 CCD 13754 29.0 0.084 4042 293 CrysAlis RED 0.073 0.140 0.986
3 o165Perpetuo C10H17N3O6 275.3 P-1 293 MoKa tube Kuma KM-4 8043 28.0 0.012 3291 183 KM-4 CCD Software 0.100 0.064 0.994
3 o168Mb C16H24IO3P 422.2 P21/n 293 MoKa tube B SMART CCD area-dete 10404 26.0 0.019 3693 212 SAINT-Plus 0.041 0.086 0.999
3 o171Kosutic-HuC26H37NO7 475.6 P21 100 CuKa BN FR591 N KappaCCD area-detec 3572 0.044 3429 327 DENZO & SCALEPACK 0.069 0.148 0.995
3 o174Bagaria C15H18N2O2 258.3 P1 293 MoKa B SMART CCD area-dete 7333 25.0 0.017 2872 348 SAINT-Plus 0.049 0.113 0.909
3 o177Nagaraj C17H20BrClN2O3 415.7 P_-1 193 MoKa tube B SMART CCD area-dete 7830 25.0 0.030 4087 231 SAINT-Plus 0.087 0.170 0.924
3 o181Zachara C12H15NO6S 301.3 P212121 293 MoKa tube S P3 2810 25.1 0.000 2810 416 XDISK 0.032 0.075 0.999
3 o185Glidewell C12H9NO3 215.2 P21/c 120 MoKa N KappaCCD area-detec 11250 25.0 0.045 2285 146 DENZO & COLLECT 0.071 0.113 0.993
3 o188Basok C26H38N2O4 442.6 P21/c 123 MoKa tube N KappaCCD area-dete 25950 25.0 0.060 8591 577 COLLECT & DENZO 0.136 0.141 0.984
3 o193Filatov C24H18 306.4 P21/c 173 MoKa tube B SMART APEX CCD area 6512 27.0 0.034 1863 145 SAINT 0.058 0.144 0.942
4 i39-Matsuo O4Se1Tl2 551.8 P63/mmc 683 CuKa R RINT-2000 69 RINT Server Software
4 m155Liu C20H22MnN4O5 453.4 C2/c 295 MoKa tube B SMART CCD 5725 26.1 0.039 2023 140 SAINT 0.050 0.086 1.000
4 m158Lyakhov C8H16Cl2CuN8 358.7 Pbca 292 MoKa tube Nicolet R3m 4C 2477 30.1 0.027 2201 89 R3m Software 0.043 0.124 1.000
4 m161Siquiera C15H21K2NO8P2 483.5 P21/c 153 MoKa N KappaCCD 25724 26.0 0.082 4152 270 HKL Denzo & Scalep 0.077 0.116 0.998
4 m165Kopf C20H16Cr2N4NiO7 587.1 C_1_2/c_ 153 MoKa tube B SMART AXS 19357 26.0 0.083 5184 307 SAINT-Plus 0.048 0.099 0.962
4 m169Bruno C33H30F12N8P2Ru 1025.8 I2/a 298 MoKa B P4 8188 25.0 0.028 7057 572 XPREPW 0.114 0.998
4 m173Koshiyama C42H32N6Pt2S4 1139.2 P-1 173 MoKa R MercuryCCD 14354 27.5 0.036 8029 488 CrystalStructure 0.085 0.990
4 m177Fan C74H64Cu4N18O14 1747.7 P-1 295 MoKa tube B SMART APEX area-det 13648 25.1 0.026 6582 514 SAINT 0.075 0.148 0.991
4 m180Diaz C14H16CuN14O4 508.0 P-1 304 MoKa tube Oxford Diffraction Xc 14665 25.0 0.030 8693 599 CrysAlis RED 0.042 0.088 0.975
4 m183Akitsu C60H54Cl6CuN6O4 1199.3 Pbca 298 MoKa R AFC-7R 8516 27.5 0.021 3338 302 TEXSAN 0.163 1.000
4 m187Shoshnik C39.72H51.44Cl2 1073.3 P-1 110 MoKa tube N KappaCCD 10055 27.0 0.029 5216 347 DENZO 0.062 0.132 0.987
4 m190Orisaku C19H31CoN6O5 482.4 P21 223 MoKa RA R AFC-7R 3200 27.5 0.027 2624 299 TEXSAN 0.032 0.066 0.999
4 m194Liu C30H24Ag2N2O8S2 820.4 C2/c 150 MoKa R/MSC Mercury CCD 11072 27.5 0.022 3038 235 TEXSAN 0.060 1.000
4 m197Jin C12H17Cl3N4Zn 389.0 P21/n 293 MoKa tube B SMART Apex CCD area 8903 26.0 0.049 3304 203 SAINT 0.041 0.072 0.998
4 m200Pardoe C15H15I3InN3 732.8 Pbcn 150 MoKa N KappaCCD 13983 27.5 0.038 1670 102 DENZO 0.041 0.029 0.997
4 m203Xia C24H22Cd2Cl8N6 902.9 P21/c 293 MoKa tube S SMART CCD area-dete 9164 25.0 0.058 2593 181 SAINT 0.037 0.091 0.997
4 m206Gainsford C10H32B2Na2O10 380.0 I-4 98 MoKa tube B SMART CCD area-dete 6990 26.3 0.020 2330 238 SAINT & SADABS 0.035 0.066 0.994
4 m209Davidson C16H11F12MoNS2 605.3 P21/m 295 MoKa tube EN CAD-4 5153 30.0 0.020 3025 162 GX 0.029 0.069 0.975
4 m211Mariyatra C36H30Cl4Hg2P2 1067.5 P21/n 120 MoKa BN FR91 RN KappaCCD 28163 27.5 0.042 4163 199 DENZO & COLLECT 0.033 0.048 0.997
4 o195Lin C14H19N5O5 337.3 P212121 293 MoKa tube B P4 2707 27.0 0.030 2032 223 SHELXTL 0.076 0.164 0.999
4 o198Johansen C8H22N2O7 258.3 P21 105 MoKa tube S SMART CCD area-dete 9845 37.8 0.026 3564 189 SAINT 0.035 0.083 0.997
4 o201Dey C21H28O4 344.4 P31 154 MoKa tube MARResearch IP 6746 25.0 0.059 1755 230 Please provide mis 0.078 0.132 0.993
4 o204Souza C12H8ClN3O3 277.7 P21/c 120 MoKa BN FR91 RN KappaCCD 13129 26.5 0.029 2580 174 DENZO & COLLECT 0.042 0.104 0.990
4 o209Glidewell C14H8N2O4 268.2 P212121 120 MoKa BN FR591 N KappaCCD area-detec 13798 27.6 0.070 1554 181 DENZO & COLLECT 0.082 0.171 0.994
4 o211Pett C4H4Cl2OS 171.0 Pbca 294 MoKa tube B SMART CCD area-dete 9966 28.3 0.023 1606 79 SHELXTL 0.036 0.089 0.996
4 o213Kolev C16H9NO4 279.2 P21/n 290 MoKa tube EN CAD-4 6407 28.0 0.093 3063 190 XCAD4 0.142 0.236 0.999
4 o216Glidewell C10H8N2O4 220.2 P21/c 120 MoKa BN FR591 N KappaCCD 12771 27.5 0.031 2192 146 DENZO & COLLECT 0.052 0.114 0.994
4 o221Linden C12H13F3O 230.2 I-4c2 160 MoKa N FR590 tN KappaCCD area-detec 23516 27.5 0.062 1258 146 DENZOSMN & SCALEPA 0.074 0.174 0.997
4 o227Sikorski C22H14Cl2F3N1O5 532.3 P-1 290 MoKa tube Kuma KM-4 4264 25.5 0.016 4064 309 KM-4 Software 0.125 0.121 1.000
4 o231Imrich C18H16N4O1S1 336.4 P21/c 298 MoKa tube B SMART 1000 8245 25.0 0.043 2867 282 SAINT 0.073 0.079 0.998
4 o234Brito C27H19NO2S 421.5 Pna21 298 MoKa tube N KappaCCD area-detec 17690 27.5 0.053 4484 280 DENZOSMN 0.114 0.993
4 o237Araya-MatuC12H7NO3 213.2 P21/c 293 MoKa tube B SMART CCD area-dete 6913 26.0 0.041 2172 146 SAINT-Plus NT 0.057 0.113 0.945
4 o240OdabasogluC8H9NO2 151.2 Pbca 296 MoKa tube Stoe IPDS-2 20873 26.1 0.062 3089 198 X-RED32 0.090 0.143 0.995
4 o243Ersanli C16H11NO4S 313.3 C2/c 293 MoKa tube R AFC-7S 3054 25.0 0.063 2939 244 TEXSAN for Windows 0.058 0.138 0.690
4 o246Glidewell C14H11IN2O6 430.2 P21/c 291 MoKa tube B SMART 1000 CCD area 11173 27.5 0.037 3603 210 SAINT 0.078 0.113 1.000
4 o249Davison C10H16O3 184.2 P21212 296 MoKa tube S P4 4249 25.0 0.074 2162 238 XSCANS 0.152 0.093 0.994
4 o253Faust C30H34O2 426.6 P-1 213 MoKa Stoe IPDS 2 15963 25.0 0.055 4296 300 X-AREA 0.055 0.107 0.986
4 o256Lundquist C19H24O8 380.4 C2/c 173 MoKa tube S SMART CCD area-dete 28856 30.7 0.035 5566 275 SAINT & SADABS (Sh 0.066 0.146 0.995
4 o259Iyer C18H24N2O2 300.4 C2/c 173 MoKa tube STOE IPDS 11138 29.2 0.048 2210 148 X-RED32 0.056 0.118 0.991
4 o262Yang C25H30ClNO2 412.0 P212121 298 MoKa tube B SMART CCD area-dete 12327 25.0 0.031 4115 263 SAINT 0.062 0.097 1.000
4 o265Camerman C18H20N2O3 312.4 P21/c 294 MoKa tube EN CAD-4 2777 25.0 0.000 2777 288 DATRDN The System 0.056 0.107 1.000
5 i41-Poudeu Ag3.5Bi7.5S13 2361.8 C2/m 297 MoKa tube Stoe IPDS I 3944 26.0 0.040 1295 81 INTEGRATE 0.058 0.104 0.978
5 i44-Lesage Ga3O20P6Rb1 800.5 C2221 298 MoKa tube N CCD area-detector 14620 42.0 0.088 5415 139 Jana2000 0.108 0.034 0.990
5 i47-Palatinus Br1O1Ti1 143.8 P21/m11 18 SR SR Huber 4C diffractomet 989 19.3 0.054 416 21 REDUCE & JANA2000 0.023 0.029 0.897
5 i49-SmolentsevBaCl2H7O7.50 335.3 C2/c 150 MoKa B N X8Apex CCD area-d 7807 30.0 0.022 2821 118 SAINT 0.026 0.051 0.971
5 i51-Tillard AlGeLi 106.5 F-43m 293 MoKa tube EN CAD-4 diffractomet 1083 34.5 0.040 67 6 local program 0.011 0.028 1.000
5 i54-Shin BO20P5Sr6 1011.4 I-4c2 298 SR HRPD Pohang Light Source 8C2 HRPD Beamline 50 FULLPROF2k
5 i57-Hajji As1Li1Mo2O9 417.7 Pmmn 298 MoKa tube EN CAD-4 602 26.9 0.053 454 41 XCAD4 0.023 0.059 0.960
5 m215Wang C34H54NiO28S2 1033.6 P21/c 298 MoKa tube B SMART CCD area-dete 11337 25.0 0.026 3930 351 SAINT-Plus 0.044 0.092 0.998
5 m218Ucar C16H20CuN4O10 491.9 P21/n 297 MoKa tube Stoe IPDS-II 11948 27.8 0.058 2363 167 X-RED32 0.043 0.061 0.994
5 m221Davies C54H41BN9O4Pr 1031.7 P-1 150 MoKa tube B SMART 1000 CCD area 22669 25.0 0.032 8143 680 SHELXTL 0.043 0.074 0.998
5 m224Garzon C20H36BaN10O18 841.9 P21 120 MoKa RA N KappaCCD area-detec 15610 27.0 0.063 6791 445 DENZO-SMN 0.063 0.083 0.986
5 m228Bulut C16H18CuN8O8S2 578.0 P21/n 296 MoKa tube 12 xSTOE IPDS-II 16919 27.2 0.121 2458 161 X-RED32 0.049 0.116 0.995
5 m231Birk C20H16CrN3O2 382.4 C2/c 122 MoKa tube N KappaCCD 49933 40.0 0.036 5177 120 EVALCCD 0.038 0.085 0.999
5 m234Schultz Cu0.966D17.16H2 417.1 P21/a 20 NeutroIntense PIPNS single-crystal d 2162 0.066 1636 179 ANVRED 0.089
5 m237Ferjani C8H24CuN2O8 339.8 P-1 293 MoKa tube EN CAD-4 3555 27.0 0.026 3292 240 MolEN 0.039 0.091 0.998
5 m240Vivar C34H46Cd2N6O21S 1163.7 P-1 297 MoKa tube B SMART CCD area-dete 18276 25.0 0.037 9474 619 SAINT-NT 0.081 0.121 0.887
5 m245Bernhardt C13H30Cl3CoN7Na 664.7 P-1 294 MoKa EN TurboCAD4 4846 25.0 0.018 4546 348 XCAD4 0.069 0.110 1.000
5 m250Baggio C15H20CuN2O4 355.9 P212121 295 MoKa tube S R3m 1662 25.0 0.055 1557 202 XDISK in SHELXTL/P 0.090 0.111 1.000
5 o267Ravikumar C18H17ClFNO 317.8 P-1 273 MoKa tube B Smart APEX CCD area 15105 25.0 0.026 5469 397 SAINT 0.063 0.129 0.998
5 o270Boechat C10H8ClF2NO3 263.6 P21/c 120 MoKa BN FR591 BN KappaCCD area-dete 13369 27.5 0.000 13369 160 DENZO & COLLECT 0.235 0.330 0.989
5 o276Glidewell C14H12N2O6 304.3 C2/c 120 MoKa BN FR591 N KappaCCD 13132 26.1 0.097 2656 200 DENZO & COLLECT 0.153 0.210 0.991
5 o281Wu C13H18N6O2 290.3 P212121 293 MoKa tube B Smart 1000 CCD area 7861 26.5 0.048 1836 204 SAINT 0.046 0.101 0.991
5 o284Velde C34H42O8 578.7 P-1 293 MoKa tube EN MACH3 2854 25.0 0.045 2613 212 XCAD4 0.220 0.272 0.996
5 o288Bats C20H20BrNO2S 418.3 P21/c 157 MoKa tube S SMART 1K CCD area-d 21361 27.5 0.068 5721 227 SAINT 0.081 0.101 0.920
5 o291Phillips C25H12BF15N2 636.2 C2/c 90 MoKa B SMART 1000 CCD area 36849 25.0 0.026 8716 436 SAINT 0.052 0.103 0.933
5 o294Sylvestre C23H24N4OS 404.5 P21/c 150 MoKa tube N KappaCCD area-detec 43089 27.5 0.072 4921 263 DENZOSMN 0.055 0.129 0.995
5 o297Nichol C10H16N2O3 212.3 P21/n 120 SR DaresburyB APEX2 CCD diffracto 17357 24.3 0.033 4049 288 SAINT 0.070 0.175 0.977
5 o300Lutz C16H14 206.3 P21 150 MoKa RA N KappaCCD 14083 27.7 0.041 1444 146 EvalCCD 0.035 0.080 0.984
5 o303Karadayi C14H15N3 225.3 P21/n 296 MoKa tube Stoe IPDS-II 2184 25.0 0.000 2184 194 X-RED 0.067 0.066 0.999
5 o306Rezende C13H12N2O3 244.3 P21/n 120 MoKa BN FR591 BN KappaCCD area-dete 12444 27.6 0.050 2573 165 DENZO & COLLECT 0.095 0.201 0.992
5 o312Glidewell C14H10I1.118N2. 388.7 C2/c 120 MoKa BN FR591 N KappaCCD area-detec 6403 25.0 0.066 1482 104 DENZO & COLLECT 0.066 0.100 0.972
5 o317Arod C13H11N1O1 197.2 P212121 120 MoKa tube Oxford Model CCD area 5769 26.4 0.074 1237 140 XPREP 0.055 0.101 0.997
5 o321Turgut C2H10Cl2N2O 149.0 P21/c 150 MoKa tube Stoe IPDS-II diffract 11440 29.1 0.077 1678 104 X-RED32 0.025 0.050 0.990
5 o324Tamuly C22H24ClNO2 369.9 P121/n1 120 MoKa tube B SMART 6000 CCD area 21158 27.5 0.058 4383 255 SAINT 0.064 0.142 1.000
5 o328DouthwaiteC31H22 394.5 P21/n 115 MoKa tube B SMART CCD area-dete 14724 27.5 0.024 4921 280 SAINT-Plus 0.056 0.111 1.000
5 o332Huo C12H10O2 186.2 P21/n 298 MoKa tube B SMART CCD area-dete 4188 25.0 0.016 1579 137 SAINT 0.054 0.126 0.980
5 o336Glidewell C6H4Br0.90Cl1.1 247.0 P21/c 298 MoKa BN FR91 RB SMART 1000 CCD area 5904 27.5 0.037 1863 129 SAINT 0.066 0.087 0.998
5 o339Foces-FoceC17H26O4 294.4 P-1 170 MoKa tube N KappaCCD area-detec 3531 27.5 0.000 3531 191 HKL DENZO & SCALEP 0.069 0.176 0.996
5 o343Soylu C14H11BrN2O2 319.2 C2/c 293 MoKa tube Stoe IPDS-II 8727 28.3 0.054 3210 234 X-RED32 0.081 0.089 0.989
6 i59-Hou BaO8TeV2 494.8 P21/n 293 MoKa rotor tarR Weissenberg IP 1663 27.5 0.033 1663 110 TEXSAN 0.020 0.056 1.000
6 i61-Chen CeI3O9 664.8 P21/n 290 MoKa tube R AFC-7R 4133 35.0 0.043 3582 119 Rigaku/AFC Diffrac 0.036 0.087 1.000
6 i63-Klein CrHg3O8Pb2 1196.2 P21/c 293 MoKa tube Stoe IPDS-II 16447 28.0 0.138 2292 128 X-RED 0.050 0.119 1.000
6 i65-Wang GdO8RbW2 738.4 C2/c 293 MoKa tube B P4 1197 30.0 0.085 951 57 XSCANS 0.053 0.136 1.000
6 i67-Xie H32Li6O44V10 1287.3 Pnnm 273 MoKa R R-AXIS RAPID 16609 26.0 0.021 1611 160 CrystalStructure 0.072 1.000
6 m253Wilkinson C4H12AsNO7 261.1 P21/c 293 MoKa tube B SMART 1000 CCD area 7588 32.5 0.049 3122 120 SAINT 0.067 0.087 0.984
6 m256Su C26H18MnN2O6 509.4 Pbcn 295 MoKa tube R R-AXIS RAPID 13706 25.2 0.043 1965 159 CrystalStructure 0.053 0.081 0.990
6 m259Christgau C5H19NO10Sr 340.8 P212121 120 MoKa tube B SMART APEX diffract 9203 28.0 0.039 3098 196 SAINT-Plus & SADAB 0.033 0.051 0.999
6 m263Wang C74H56Ag4N8O18 1776.8 P121/c1 296 MoKa tube R R-AXIS RAPID 32278 27.5 0.033 7793 474 CrystalStructure & 0.050 0.054 0.996
6 m266Ucar C32H26CuN4O4.50 602.1 P21/c 297 MoKa tube Stoe IPDS 2 22893 25.0 0.131 4828 387 X-RED32 0.116 0.075 1.000
6 m269Chen C12H40CeMo8NaO3 1851.4 C2/c 130 MoKa tube R Mercury CCD area-de 16875 27.5 0.020 5365 290 CrystalClear 0.022 0.055 0.985
6 m272Sharma C10H18CoN13O7 491.3 Pbca 180 MoKa tube B N X8 APEX-II CCD ar 20066 26.4 0.020 4649 280 SAINT 0.050 0.115 0.923
6 m275Banerjee C18H21BrN3O5Re 625.5 P21/c 91 MoKa tube B SMART APEX CCD area 52775 31.5 0.062 13759 511 SAINT 0.075 0.132 0.998
6 m278Wang C8H10HgMnN6O2S4 606.0 Pna21 293 MoKa tube B P4 2951 27.5 0.030 2417 203 SHELXTL 0.070 0.077 1.000
6 m281Khan C14H20Ag2N6O6 584.1 P-1 298 MoKa tube EN CAD-4 2109 27.5 0.023 2070 136 XTAL3.5 0.021 0.047 0.992
6 m284Sreekanth C17H17ClCuN4S 408.4 P21/n 293 MoKa tube B SMART APEX CCD area 12249 26.9 0.024 3392 281 SAINT 0.039 0.080 0.922
6 m287Vohs C12H18ClGaN2O2 327.5 P21/n 163 MoKa tube B SMART CCD diffracto 14190 28.3 0.024 3298 239 SAINT 0.024 0.051 0.966
6 m289Vivar C52H64N8O15S3Zn 1268.0 P-1 295 MoKa tube B CCD area detector 10738 25.0 0.027 6282 412 SAINT-NT 0.074 0.144 0.890
6 m292Lin C20H26CdN4O7 546.9 P21/c 293 MoKa tube Mercury 70 16963 27.5 0.030 5117 393 CrystalClear 0.053 0.148 0.997
6 m295You C17H16CoN5O2 381.3 Pna21 298 MoKa tube B SMART CCD area-dete 8835 26.5 0.030 3234 227 SAINT 0.054 0.130 0.999
6 m298Tafeenko C16H10N8O8Zn 507.7 C2/c 290 CuKa tube EN CAD-4 3976 72.9 0.090 1985 171 XCAD4 0.049 0.100 0.998
6 m301Harding C62H49BCoN8O2 1007.8 P-1 150 MoKa tube B SMART 1000 28606 27.6 0.041 11119 669 SAINT 0.073 0.105 0.972
6 m304Schlueter C46H34N14Pt 978.0 P-1 298 MoKa tube S SMART CCD area-dete 24138 29.6 0.025 11361 550 SAINT 0.041 0.065 0.978
6 m307Muranishi C18H12Cl2N2Pd 433.6 P21/c 296 MoKa tube R AFC-5R 3825 27.5 0.043 3669 208 TEXSAN 0.053 0.076 1.000
6 m311Xiang C4H12FeN10S4 384.4 P-1 273 MoKa tube B SMART APEX CCD area 1926 25.3 0.009 1276 88 SAINT 0.031 0.080 0.982
6 m313Han C6H24MoN6O4Zn 405.6 P-3c1 293 MoKa tube R AFC-5R 11127 27.5 0.052 1658 84 TEXSAN 0.039 0.099 0.996
6 m315Loiseau C3H12F5Ga2N2O4P 405.6 P21/m 293 MoKa tube S SMART CCD area-dete 3501 27.5 0.032 1374 109 SAINT 0.038 0.072 0.922
6 m318Perez C38H52CuN6O2 688.4 P-1 298 MoKa tube B SMART CCD area-dete 7009 26.0 0.047 3530 217 SAINT 0.101 0.139 0.992
6 o345Martinez-PC8H14Br2N2O2 330.0 P21/c 293 MoKa tube EN CAD-4 1816 30.0 0.029 1729 72 WinGX-PC 0.159 0.159 1.000
6 o348Kazak C17H14N2O2S 310.4 P21212 100 MoKa tube N KappaCCD 21502 28.7 0.029 1864 101 EVALCCD 0.027 0.059 0.998
6 o351WojciechowC11H16O3 196.2 P212121 293 CuKa tube B SMART APEX CCD area 5162 70.7 0.014 1816 185 SAINT-Plus 0.030 0.080 0.950
6 o354Stibrany C18H16N4 288.4 P21/n 297 MoKa tube B SMART CCD area-dete 5056 25.0 0.025 1273 117 SAINT-Plus 0.043 0.111 0.988
6 o358Mehta C6H14O5 166.2 C2 296 MoKa tube B SMART CCD area-dete 1567 25.0 0.022 465 58 SAINT 0.033 0.082 0.987
6 o361Cheruzel C8H8N4O2 192.2 P21/c 100 MoKa tube B SMART APEX CCD 3097 27.5 0.021 881 78 SAINT 0.048 0.071 0.981
6 o363iskeleli C12H20N6O2 280.3 Pbca 293 MoKa tube Stoe IPDS-II 11694 26.0 0.073 1379 92 X-RED32 0.066 0.072 1.000
6 o366Tafeenko C8H7N5O3 221.2 P21/n 291 CuKa tube EN CAD-4 2129 72.9 0.040 2069 173 XCAD4 0.045 0.104 1.000
6 o369Grimley C16H15Cl4NO2 395.1 P21/c 298 MoKa tube Nicolet P3 4C 5280 30.1 0.036 5047 209 RDNIC 0.133 0.159 1.000
6 o373DomasevitcC6H9BrN4O 233.1 P-1 223 MoKa tube EN CAD-4 2879 27.9 0.017 2204 109 XCAD4 0.056 0.072 0.998
6 o377Besnard C26H15N3S 401.5 P-1 293 SR MARCCD 165 detector 4040 32.9 0.048 2099 271 TWINSOLVE 0.137 0.814
6 o380Siluvai C34H42Cl2N6O10 765.6 P-1 293 MoKa tube EN CAD-4 6833 25.0 0.031 6397 518 XCAD4 in WinGX 0.135 0.212 1.000
6 o383Nichol C6H7NO 109.1 P212121 120 SR DaresburyB APEX2 CCD 16261 23.7 0.128 2202 306 SAINT 0.097 0.128 0.997
6 o386Marek C16H16O4 272.3 P21/c 120 MoKa tube Kuma KM-4-Plus CCD 8679 25.0 0.043 2312 190 CrysAlis RED 0.059 0.091 0.998
6 o390He C20H30N2O3S 378.5 P212121 293 MoKa tube B SMART CCD area-dete 12564 26.5 0.029 4425 242 SAINT 0.051 0.097 0.995
6 o393Ozbey C22H20O4S3 444.6 P21/n 293 MoKa EN CAD-4 4417 26.3 0.026 4191 270 XCAD4 0.100 0.998
6 o396Plitt C48H52N4O8S4 941.2 P-1 200 MoKa tube B SMART CCD area-dete 10638 25.3 0.064 4343 315 SHELXTL 0.114 0.112 0.995
6 o398Portilla C21H17N3 311.4 Pbca 120 MoKa BN FR91 RN KappaCCD 19065 27.5 0.056 3577 218 DENZO & COLLECT 0.086 0.121 0.995
6 o404Torres C22H19N3O2 357.4 P212121 120 MoKa BN FR91 RN KappaCCD 12216 27.5 0.031 2314 245 DENZO & COLLECT 0.049 0.107 0.996
6 o408Seela C11H13FN4O3 268.3 P212121 293 MoKa tube B P4 2482 29.0 0.030 1858 175 SHELXTL 0.070 0.120 1.000
6 o411Dale C46H72N4O12S8 1129.6 P-1 150 MoKa tube B SMART 1000 CCD 10556 26.0 0.075 5312 424 SAINT 0.194 0.233 0.987
6 o414Trilleras C20H17ClN2O2 352.8 P21 120 MoKa BN FR91 RB N KappaCCD area-det 11528 25.5 0.040 3863 228 DENZO & COLLECT 0.084 0.125 0.978
7 i69-Gall La5Mo6O21 1606.2 P212121 293 MoKa tube N KappaCCD 34498 40.3 0.081 9991 291 EvalCCD 0.042 0.088 0.986
7 i71-Feng Ga3Sm5 960.9 P4/ncc 293 MoKa tube Oxford Xcalibur CCD a 10930 26.1 0.073 440 22 CrysAlis RED 0.026 0.055 0.998
7 i73-Jemmali CeH2KO9S2 389.3 P21/c 293 MoKa tube Oxford Instruments po 3334 27.0 0.034 1729 127 Jana2000 0.050 0.055 1.000
7 i76-Harrison O9Se3Tl2 789.6 P21/n 120 MoKa tube N KappaCCD area-detec 10219 27.5 0.059 1948 127 HKL DENZO & SCALEP 0.053 0.121 0.995
7 i79-Yahia Ca4Na1O12V3 528.1 Pnma 295 MoKa tube N KappaCCD 25346 35.0 0.088 2433 99 Jana2000 0.054 0.083?
7 m321Jesionka C32H70Li2O8S2Si 717.1 P21/n 200 MoKa tube Kuma KM4 point detect 4228 25.6 0.071 4007 212 DATAPROC 0.108 0.220 0.993
7 m324Akitsu C18H22ClMnN2O10 516.8 Pbca 297 MoKa R RA geneR AFC-7R 4892 27.5 0.000 3324 311 TEXSAN 0.089 0.174 0.999
7 m329King C64H56Cu2F12N11 1396.2 P-1 90 MoKa RA B SMART CCD area-dete 45314 28.1 0.023 14342 849 SAINT 0.036 0.082 0.995
7 m333Peng C14H12CuN8S2 420.0 C2/c 193 MoKa tube R Mercury CCD 8843 27.5 0.023 1870 116 CrystalClear 0.031 0.079 0.997
7 m337Chen C60H90Cl2O10Ti7 1377.5 P21/n 293 MoKa tube B CCD area detector 37338 26.1 0.026 13061 741 SAINT-NT 0.057 0.121 0.995
7 m339You C11H14BrCuN5O 375.7 P21/n 298 MoKa tube B SMART CCD area-dete 15608 27.5 0.033 3258 174 SAINT 0.040 0.077 0.993
7 m342Bati C18H18CoN4O4S2 477.4 Pna21 100 MoKa tube Stoe IPDS-II 23485 26.1 0.054 3861 264 X-RED32 0.026 0.063 0.996
7 m344Stephens C4H20F8N4Nb2O3 510.1 P21/n 125 MoKa tube B SMART CCD area-dete 9021 25.4 0.022 2608 190 SAINT? & SHELXTL 0.026 0.060 0.987
7 m346Barley C24H52BrFeLi2O6 586.3 P21/a 123 MoKa tube N KappaCCD 35132 27.5 0.039 7143 319 DENZO 0.042 0.070 0.996
7 m348Gao C10H12BaO8 397.5 P21/c 295 MoKa tube R R-AXIS RAPID 10955 27.5 0.045 2787 184 CrystalStructure 0.032 0.073 0.997
7 m351ilovic C38H34N2O5Zn 664.1 P-1 295 MoKa tube Philips PW1100 upgrad 9774 30.0 0.091 9462 419 X-RED 0.105 0.165 0.996
7 m353Burcak C8H20ClCuN7O4 377.3 P21/m 193 MoKa tube Stoe IPDS-II 9279 29.5 0.048 2268 122 INTEGRATE in X-ARE 0.044 0.109 0.993
7 m356Sharma C28H36CoF4N6NaO 758.6 C2/c 180 MoKa tube B N X8APEX-II CCD are 11474 25.0 0.019 3531 269 SAINT 0.038 0.085 0.889
7 m359You C38H40Co2N4O4.2 739.1 P41212 298 MoKa tube B SMART CCD area-dete 30177 27.5 0.040 4024 221 SAINT 0.038 0.078 0.999
7 m361Schmidt C22H18MnO8 465.3 P21/c 173 MoKa tube Stoe IPDS II two-circ 17865 25.0 0.083 4535 281 X-AREA 0.095 0.316 0.976
7 m365Alley C23H19FeNO3S 445.3 P21/n 150 MoKa tube N KappaCCD 6335 27.5 0.049 4313 268 DENZO-SMN 0.054 0.088 0.996
7 m370Milanov C22H46Cl2HfN4 616.0 P-1 105 MoKa Enhance (Oxford Diffraction Sa 25779 27.6 0.063 6267 272 CrysAlis RED 0.042 0.090 0.990
7 o417Camerman C12H17N3O3 251.3 Pbcn 294 CuKa tube Picker FACS-1 4C diff 2225 65.0 0.000 2225 172 DATRDN The System 0.089 0.146 1.000
7 o420Forster C8H17N3O5 235.3 P21 20 MoKa tube Huber with B APEX CCD 13577 30.0 0.027 1851 213 SAINT 0.028 0.071 1.000
7 o422Kubicki C15H14N2O3 270.3 P-1 100 MoKa tube Kuma KM-4-CCD 4C diff 10887 25.0 0.056 5124 456 CrysAlis Red 0.116 0.128 0.994
7 o424Makowski C44H49N7O10 835.9 P21 100 CuKa tube Oxford Xcalibur PX \k 14511 73.5 0.085 4423 552 CrysAlisRED 0.100 0.192 0.964
7 o427Camerman C15H14ClN3S 303.8 P212121 294 CuKa tube PICKER FACS-1 4C diff 1515 65.0 0.000 1515 185 DATRDN The System 0.092 0.124 1.000
7 o431Fonari C46H48O4S2 729.0 P-1 293 MoKa tube S P4 4190 26.0 0.017 3914 239 SHELXTL-Plus 0.076 0.121 1.000
7 o434Tafeenko C5H2N4 118.1 Pca21 295 MoKa tube EN CAD-4 diffractomet 860 30.0 0.000 860 91 XCAD4 0.033 0.085 1.000
7 o438Yilmaz C15H10O2 222.2 P-1 100 MoKa tube BN KappaCCD 17534 27.9 0.070 2498 154 EVALCCD 0.053 0.098 0.999
7 o442Mera C19H19N3O 305.4 P21/n 120 MoKa BN FR91 RBN 95mm CCD camera on 17074 25.5 0.090 3503 211 DENZO & COLLECT 0.128 0.179 0.977
7 o445Ferguson C52H36I4N8O8 1408.5 C2/c 120 MoKa BN FR591 B N KappaCCD area-det 6295 27.4 0.046 1356 78 DENZO & COLLECT 0.054 0.107 0.993
7 o450Garden C13H9IN2O3 368.1 P21/c 298 MoKa tube B SMART 1000 CCD area 15459 32.5 0.020 4780 172 SAINT 0.086 0.188 0.998
7 o452Portilla C17H17N3 263.3 P21/c 120 MoKa BN FR91 RN KappaCCD 13947 27.5 0.085 3076 183 DENZO & COLLECT 0.146 0.175 0.995
7 o457Hu C36H39BN4O2S 602.6 P21/c 187 MoKa tube B SMART APEX CCD 17468 26.0 0.026 6251 399 SAINT 0.062 0.123 0.996
7 o460Chumakov C15H16N2O5S 336.4 P21/c 298 MoKa tube B SMART CCD area-dete 11981 25.0 0.057 2696 221 SAINT 0.095 0.113 0.990
7 o464Smith C28H26N4O9 562.5 P21 295 MoKa tube B SMART CCD area-dete 5865 25.0 0.071 2222 384 SAINT 0.066 0.142 0.992
7 o469Blewett C12H12N2O4S2 312.4 C2/c 100 MoKa tube B SMART APEX CCD 3729 27.1 0.027 1507 93 SAINT 0.052 0.119 0.987
8 i81-Kwak Ge4Se9 1001.1 Pca21 291 MoKa R R-AXIS RAPID-S 13705 27.5 0.060 3410 118 RAPID-AUTO 0.074 0.994
8 m373Dincer C27H34BrN2O2Rh 601.4 P21/c 100 MoKa tube Stoe IPDS 2 76907 26.0 0.088 10685 680 X-RED32 0.037 0.062 1.000
8 m376BogdanovicC16H20Cu2N12S4 635.8 P-1 293 MoKa EN CAD-4 2906 27.0 0.021 2685 165 XCAD4 0.125 0.997
8 m380Silva C16H36Cl8Cu4N4O 950.3 P21/c 293 MoKa tube EN CAD-4 3266 25.0 0.030 3075 191 PLATON 0.035 0.064 0.997
8 m383You C11H15Cl2N3O3Zn 373.5 P212121 298 MoKa tube B SMART CCD area-dete 9727 27.5 0.036 3496 186 SAINT 0.051 0.084 0.994
8 m386Duarte C33H33F6FeN2O5P 800.4 P21/c 293 CuKa tube EN Turbo CAD-4 6598 69.8 0.000 6598 451 XCAD4 0.123 0.150 0.991
8 m390Goreshnik C34H36Cl4Cu4N4O 1056.8 P-1 200 MoKa Tube Mercury CCD 4221 25.0 0.015 3719 262 CrystalClear 0.082 0.161 0.737
8 m393Ferguson C22H31B9IPPdS 689.1 Pbca 294 MoKa tube EN CAD-4 6057 27.0 0.000 6057 318 DATRD2 in NRCVAX94 0.108 0.162 1.000
8 m397You C26H36Cd2N8O8S2 877.6 P-1 298 MoKa tube B SMART CCD area-dete 7155 25.0 0.016 3686 253 SAINT 0.026 0.062 0.964
8 m400Lou C6H16Cu2N2O12 435.3 P-1 293 MoKa tube B APEX area-detector 2108 27.0 0.021 1541 100 SAINT 0.026 0.071 0.966
8 o473Kavitha C10H9ClN2O4 256.6 Pc 120 MoKa BN FR91 RB N KappaCCD area-det 6904 27.5 0.046 2313 155 DENZO & COLLECT 0.054 0.115 0.997
8 o475Qiu C22H24N2O9S2 524.6 P212121 173 MoKa R/MSC Mercury CCD are 19569 27.5 0.037 5499 317 TEXSAN 0.046 0.992
8 o477Delgado C10H7NOS2 221.3 P21/n 120 MoKa BN FR91 RN KappaCCD 20659 27.5 0.048 4399 253 DENZO & COLLECT 0.065 0.095 0.996
8 o483Portilla C21H17N3 311.4 P-1 120 MoKa BN FR91 RB N KappaCCD area-det 15116 27.6 0.039 3576 218 DENZO & COLLECT 0.060 0.114 0.988
8 o490Portilla C26H20N4 388.5 P-421c 120 MoKa BN FR91 RB N KappaCCD area-det 28744 27.5 0.070 2537 272 DENZO & COLLECT 0.063 0.089 0.993
8 o493Glidewell C8H7N3O3 193.2 I41/a 120 MoKa BN FR91 RB N KappaCCD area-det 2068 27.5 0.039 2066 127 DENZO & COLLECT 0.048 0.098 0.996
8 o496Castaneda C23H21O2P 360.4 P121/c1 295 MoKa tube S R3m 3480 25.0 0.013 3325 237 XDISK in SHELXTL/P 0.050 0.106 0.998
8 o500Huo C16H16N4O6S 392.4 P21/c 203 MoKa tube B SMART CCD area-dete 7302 25.0 0.039 3160 250 SAINT 0.086 0.149 0.997
8 o503Sorensen C39.50H34O3S3 652.9 C2/c 122 MoKa tube N KappaCCD 86319 30.0 0.057 9790 442 EvalCCD 0.067 0.125 0.999
8 o506Myung C5H9NO2 115.1 P21/c 120 MoKa tube B SMART 6000 3327 25.0 0.021 963 87 SAINT 0.043 0.114 1.000
8 o509Kubicki C15H17ClN4O2 320.8 P212121 90 MoKa tube Kuma KM4 CCD 4C 15516 25.0 0.027 4069 257 CrysAlisRed 0.042 0.054 0.969
8 o512Kubicki C8H10N6O5 270.2 P21 100 MoKa tube Kuma KM-4 CCD 4C 5482 25.0 0.039 1598 192 CrysAlis RED 0.062 0.049 0.911
8 o515Zarychta C7H7N3O4 197.2 P21/n 100 MoKa tube Oxford Diffraction Xc 5344 26.0 0.030 1591 156 CrysAlis RED 0.040 0.089 0.985
8 o518Newton C19H39N8O19.5P2 753.5 P41212 100 CuKa R FR-D RAB SMART 6000 CCD area 23451 67.1 0.025 5272 474 PROTEUM & SADABS 0.047 0.124 0.971
8 o521Kunrath C36H30B2N8 596.3 P21/n 120 MoKa tube N KappaCCD area-detec 6995 27.5 0.000 6995 422 SCALEPACK & DENZO 0.076 0.131 0.999
8 o524Shivachev C8H13N3O2 183.2 P21/c 290 MoKa tube EN CAD-4 7138 26.0 0.076 3509 253 XCAD4 0.119 0.118 0.999
8 o527Sonar C12H12N2O2 216.2 C2/c 90 MoKa tube N KappaCCD area-detec 4507 27.5 0.019 2390 147 DENZO-SMN 0.053 0.114 0.999
9 i83-Rotiroti Ba0.185La0.815M 241.6 I2/c 160 MoKa RA N MACH3 1567 39.9 0.000 1567 31 HELENA & HABITUS 0.036 0.033
9 i86-Kolitsch AsH2InO5 271.8 P-1 293 MoKa tube N KappaCCD 2799 32.5 0.013 1427 73 HKL DENZO & SCALEP 0.013 0.033 0.997
9 i90-SchwendtneAs3CsGaH5O12 624.4 C12/c1 293 MoKa tube N KappaCCD 4542 35.0 0.019 2309 92 HKL DENZO & SCALEP 0.028 0.066 0.997
9 i94-Klein AgHg3O6Sb 927.4 R-3c 293 MoKa tube Stoe IPDS-2 901 27.1 0.084 254 20 X-RED32 0.049 0.060 1.000
9 i96-EbbinghausLa2O5Ru 458.9 P21/c 293 neutron SINQ HRPT 1054 86.4 46 SINQ Instrument Co 0.026
9 m403Hu C6H6Cl2CuN4 268.6 P21 298 MoKa tube B APEX area-detector 4178 25.2 0.038 1590 118 SAINT 0.057 0.103 0.999
9 m406You C12H14BrCuN3OS 391.8 Pca21 298 MoKa tube B SMART CCD area-dete 30513 27.0 0.039 6447 347 SAINT 0.042 0.092 0.999
9 m409Li C21H21Cl2CuN6 491.9 P-1 293 MoKa tube Mercury70 8202 27.5 0.027 4736 271 CrystalClear 0.069 0.093 0.986
9 m412Fleck C4H14Br2N2NiO6 404.7 P21/c 293 MoKa tube N KappaCCD area-detec 3883 30.0 0.026 1593 99 HKL DENZO & SCALEP 0.035 0.055 0.945
9 m417Gainsford C8H20BNaO4 214.0 P21212 98 MoKa tube B SMART CCD area-dete 3881 26.3 0.068 829 67 SAINT & SADABS 0.083 0.105 0.998
9 m419Xie C24H34CoN2O10 569.5 P-1 296 MoKa tube B P4 3546 27.5 0.024 2959 182 XSCANS 0.034 0.078 0.996
9 m421You C14H9Cl2CuN3OS 401.7 Pna21 298 MoKa tube B SMART CCD area-dete 12153 27.5 0.036 3431 199 SAINT 0.047 0.095 0.999
9 m424Vazquez C20H38Cl2N2Pd 483.8 P212121 296 MoKa B P4 7901 30.0 0.020 6612 232 XSCANS 0.044 0.087 0.999
9 m428Ucar C28H22N4O7Pb 733.7 P21/c 297 MoKa tube Stoe IPDS-II 39366 27.1 0.066 5638 386 X-RED32 0.034 0.068 0.996
9 m432You C34H26N10O2Zn2 737.4 P21/c 298 MoKa tube B SMART CCD area-dete 8467 27.5 0.031 3406 217 SAINT 0.066 0.120 0.972
9 m435Zhang C13H21NaO4 264.3 P-1 173 MoKa tube B SMART 1000 CCD area 8727 27.6 0.037 3317 185 SAINT 0.062 0.135 0.985
9 m439KruszynskiC38H50Cl4N2O8Sn 1279.4 P21/n 291 MoKa tube Kuma KM4 CCD area-det 27541 25.1 0.036 4230 259 CrysAlis RED 0.034 0.063 0.998
9 m442Durust C16H10HgN4S4 587.1 C2 105 MoKa tube N KappaCCD 4345 28.3 0.053 1960 115 DENZO & SCALEPACK 0.023 0.050 0.996
9 o531Frederick C16H15ClN4O2 330.8 P-1 298 CuKa tube EN CAD-4 3240 71.8 0.016 3015 209 HELENA 0.049 0.132 0.999
9 o533Zhang C24H23N7O 425.5 P21/n 293 MoKa tube B SMART 1K CCD 15554 30.0 0.019 6455 310 SAINT 0.059 0.115 0.987
9 o537Senge C10H15NO 165.2 C2/c 130 MoKa tube S R3m/V 2493 27.5 0.041 2174 117 XDISK 0.107 0.174 0.998
9 o542Koysal C19H20FN3OS 357.4 P21/c 293 MoKa tube Stoe IPDS-II 12891 26.3 0.043 3622 234 X-RED32 0.047 0.092 0.987
9 o545Geith C5H6N2O4 158.1 Pnma 200 MoKa tube Stoe IPDS 5084 28.0 0.048 794 67 IPDS Software 0.046 0.092 0.994
9 o548Mascaros C11H17N5O4 283.3 P212121 120 MoKa BN FR91 RN KappaCCD area-detec 22570 27.5 0.024 1795 185 DENZO & COLLECT 0.045 0.106 0.995
9 o551Glidewell C20H20N4O4 380.4 P21/c 120 MoKa BN FR91 RB N KappaCCD area-det 43594 27.5 0.043 8633 505 DENZO & COLLECT 0.075 0.129 0.995
9 o555Smith C12H15N3O7S 345.3 P21 297 MoKa R RA R AFC 7R 1965 27.5 0.014 1726 243 TeXsan for Windows 0.053 0.112 0.999
9 o559ozbey C26H21N3O5S1 487.5 P21/c 295 MoKa EN CAD-4 4875 26.3 0.080 4641 322 XCAD4 0.146 0.999
9 o562Seela C11H15N5O3S 297.3 P21 293 MoKa tube B P4 3965 29.0 0.023 1900 184 SHELXTL 0.054 0.163 1.000
9 o565Demir C5H9N2O4P 192.1 P21 120 MoKa tube N KappaCCD 3961 27.6 0.090 1719 116 HKL Denzo & Scalep 0.102 0.137 0.977
9 o568Pu C23H22F6O4S2 540.5 P21/n 295 MoKa tube B P4 5323 25.0 0.026 4231 340 XSCANS 0.061 0.144 0.996
9 o571Ibberson C2D6OS 84.2 2 TOF neutron HRPD 93 St&ard HRPD normal?
9 o574Du C19H14N2O6 366.3 C2/c 293 MoKa tube B APEX-II CCD area-de 8469 25.0 0.024 2845 247 SAINT 0.055 0.133 0.994
10 i99-Norberg K2O10P2Ti2 395.9 Pna21 295 SR Photon Fabl14a 4C 25010 55.0 0.015 9211 154 DIFDAT ADDREF SORT 0.020 0.02555.010
10 i103Weil Ag2Hg2O12Te3 1191.7 P21/n 295 MoKa tube B SMART APEX CCD 5772 30.5 0.044 1573 88 SAINT 0.031 0.052 0.993
10 i106Takagi Ca2Cl2CuO10Te4 885.0 P-1 291 MoKa tube STOE IPDS 4989 27.9 0.046 1487 88 program? 0.021 0.044 0.983
10 m445Kirik C16H24N8O24Pd8 1563.8 I4/m 293 CuKa tube DRON-4 powder diffrac 478 0.000 45 ?
10 m448Senkovska C14H16CaO7 336.4 P21/c 293 MoKa Stoe IPDS 12022 25.9 0.038 2838 223 IPDS 0.038 0.063 0.950
10 m450Tornroos C12H16Cl2FeN4 343.0 C2/c 150 MoKa tube S SMART 1K CCD area-d 14985 25.0 0.025 3276 174 SAINT 0.039 0.063 0.939
10 m453Wei C14H16CoN4O5 379.2 P21/c 294 MoKa tube B SMART CCD area-dete 4846 27.9 0.012 1771 115 SAINT 0.030 0.079 0.993
10 m456You C13H10BrClN2OZn 391.0 Pbca 298 MoKa tube B SMART CCD area-dete 28481 27.5 0.113 3091 172 SAINT 0.113 0.128 1.000
10 m459Nichol C8H6CsN4O7.5 411.1 Pnab 150 MoKa tube N KappaCCD area-detec 49241 27.5 0.065 2592 204 EvalCCD 0.037 0.047 0.993
10 o577Doi C16H18N4O4 330.3 P1 100 MoKa MacS M18XB SMART APEX 8913 25.7 0.025 6059 896 SAINT-Plus 0.067 0.150 0.980
10 o583Wang C13H6O4S5 386.5 Cm 293 MoKa tube B P4 1644 31.5 0.026 1316 104 SHELXTL 0.050 0.091 0.999
10 o586BalasubramC12H15ClN6O6 374.8 C2/c 295 MoKa tube Kuma KM4CCD \k-geomet 27180 26.1 0.048 6490 451 CrysAlis RED 0.141 0.231 0.998
10 o589Pelosi C9H8N4O2 204.2 P21/c 298 CuKa tube S AED 1438 70.0 0.032 1354 136 local program 0.059 0.092 0.998
10 o593Jin C20H20N2O4 352.4 Cc 273 MoKa tube B SMART APEX CCD area 9779 25.4 0.021 3370 476 SAINT 0.079 0.173 0.991
10 o596Filatov C2H6OSe 125.0 P-1 173 MoKa tube B SMART APEX CCD area 1735 25.0 0.012 895 61 SAINT 0.018 0.045 0.913
10 o599Pu C27H18F6S2 520.5 P21/c 295 MoKa tube B P4 5525 25.0 0.028 4201 318 XSCANS 0.071 0.112 1.000
10 o602Langer C9H9NO2 163.2 P21/n 173 MoKa tube S SMART CCD area-dete 13125 30.0 0.026 2785 120 SAINT & SADABS 0.045 0.119 0.949
10 o607Bakir C17H13N5O2 319.3 P21/c 296 MoKa tube B SMART CCD area dete 13621 28.2 0.053 3630 221 SAINT 0.090 0.095 0.960
10 o610Bruno C27H21NO4S 455.5 P-1 298 MoKa X8 CCD area detector 17961 25.0 0.040 4015 300 SAINT 0.162 0.981
10 o613Ferguson C13H10N4O4 286.3 P21/c 120 MoKa BN FR91 RN KappaCCD area-detec 8294 27.5 0.030 1415 111 DENZO & COLLECT 0.070 0.149 0.988
10 o617Wardell C13H9F2N3O 261.2 P21/n 120 MoKa BN FR91 RN KappaCCD area-detec 10256 26.5 0.031 2658 178 DENZO & COLLECT 0.052 0.101 0.985
11 i109Chen GaI3O9 594.4 P63 290 MoKa tube R AFC-7R 2720 32.5 0.033 913 41 Rigaku/AFC Diffrac 0.017 0.037 1.000
11 i111Engel CoK4Mo4O15 839.1 P-3 298 MoKa tube Oxford Xcalibur with 3620 30.0 0.047 1318 75 CrysAlis RED 0.066 0.094 0.900
11 m463Wu C6H18N4O11S3V 469.4 P-1 296 MoKa tube B APEX area-detector 8440 27.5 0.016 4015 226 SAINT 0.037 0.089 0.993
11 m466You C30H24Cl4N4O6Zn 809.1 P-1 298 MoKa tube B SMART CCD area-dete 7858 25.0 0.027 3560 209 SAINT 0.058 0.111 0.946
11 m469Hao C36H24.70CdN4O8 759.3 P21/c 298 MoKa tube R R-AXIS RAPID 18797 25.0 0.084 7162 454 PROCESS-AUTO 0.135 0.115 0.946
11 m472Guzei C33H20MgN8O 568.9 P21/c 100 MoKa tube B SMART 1000 CCD area 20390 26.4 0.040 5168 392 SAINT 0.066 0.120 0.997
11 m476Miyashita C30H27Cl2NO3PRe 769.7 P21/c 296 MoKa R AFC-7S 7600 27.5 0.025 6887 352 TEXSAN 0.149 0.997
11 m479Ucar C21H21CuN3O7 491.0 P21/c 297 MoKa tube STOE IPDS-II 17419 27.9 0.092 4848 309 X-RED32 0.064 0.107 0.993
11 m482Masci C78H96N2O17S3U 1667.8 P21/n 100 MoKa tube N KappaCCD area-detec190557 25.7 0.082 13724 922 HKL2000 0.075 0.146 0.994
11 m485Davies C40H40Cl2CoN16 874.7 I4 150 MoKa tube B smart 1000 11871 25.0 0.032 2407 138 SHELXTL 0.034 0.069 0.991
11 m488Philip C16H16N5O2SV 393.3 P21/c 293 MoKa tube B SMART APEX CCD 15040 28.1 0.021 4134 226 SAINT 0.054 0.112 0.987
11 m491Zhu C24H26N3O10Sm 666.8 P-1 193 MoKa tube R Mercury 13165 25.4 0.025 4812 338 CrystalStructure 0.029 0.064 0.994
11 m494Vivar C16H18CdN2O4S2 478.8 P21/c 297 MoKa tube B CCD area-detector 13727 25.0 0.064 3818 238 SAINT-NT 0.085 0.110 0.933
11 o621Smith C29H40N2O14 640.6 P1 130 MoKa tube B SMART CCD area-dete 7737 25.0 0.031 5129 888 SAINT 0.048 0.075 0.987
11 o625Zachara C14H14N2O5S2 354.4 P21 293 MoKa tube S P3 3986 25.0 0.034 2834 254 XDISK 0.043 0.090 0.999
11 o628Manoj C21H22O6 370.4 P-1 298 MoKa tube B SMART APEX CCD area 13398 25.5 0.025 3328 245 SAINT 0.052 0.113 0.996
11 o631Janzen C10H21I2N3 437.1 Pnma 173 MoKa tube S SMART platform CCD 11185 25.0 0.047 1508 121 SAINT 0.041 0.045 1.000
11 o634Wardell C13H9IN2O3 368.1 P-1 120 MoKa BN FR91 RN KappaCCD area-detec 12249 27.5 0.023 2759 172 DENZO & COLLECT 0.020 0.045 0.991
11 o639Lutz C14H22O 206.3 P21/c 110 MoKa RA N KappaCCD area-detec 27689 27.5 0.031 2912 224 EvalCCD 0.048 0.100 1.000
11 o642Zheng C16H16ClN5 313.8 Pna21 293 MoKa tube B SMART 1K CCD 6569 25.0 0.024 2020 200 SAINT 0.033 0.067 0.999
11 o645Abonia C9H14N2O3 198.2 P21/n 120 MoKa BN FR91 RN KappaCCD 13128 26.5 0.036 2262 128 DENZO & COLLECT 0.054 0.132 0.989
11 o648Hulita C12H13N3O2S 263.3 P21/n 295 MoKa tube Philips PW1100 update 7502 30.0 0.001 3751 175 X-RED 0.084 0.127 0.999
11 o652Hussain C14H16O4 248.3 P21/c 100 MoKa tube B SMART APEX CCD area 11969 28.3 0.031 2953 165 SAINT 0.067 0.136 0.985
11 o654Li C21H24N3O4P 413.4 Pna21 100 MoKa tube B Kappa APEX-II CCD a 13717 25.2 0.035 6527 277 SAINT & SHELXTL 0.050 0.100 0.961
11 o657Jin C39H33BN2 540.5 Cc 193 MoKa tube R Mercury 14471 25.3 0.047 2726 381 CrystalStructure 0.063 0.121 0.997
11 o660Sonar C15H17NO2 243.3 P-1 90 CuKa FR-591 RABN X8 Proteum 13961 68.1 0.057 13961 351 Saint-Plus 0.050 0.114 0.983
11 o662Britton C24H10Cl4N2 468.1 P21/n 174 MoKa tube S SMART area-detector 4778 25.0 0.023 1700 136 SAINT 0.041 0.081 0.990
11 o665Dincer C14H9N5S 279.3 P21/n 296 MoKa tube Stoe IPDS 2 13221 26.0 0.085 2426 217 X-RED32 0.061 0.077 0.985
11 o668Kumar C25H33N2O4PS 488.6 Cc 295 MoKa tube B SMART CCD area-dete 14692 28.3 0.035 5940 306 SAINT 0.053 0.087 0.962
12 i113Silva BeF4Tl2 493.8 Pnma 300 neutron 3T2 Line 934 35 0.055
12 i117Casari Cr4K2O13 494.2 Pc 173 MoKa tube S SMART 1K CCD area-d 7800 30.0 0.045 4076 173 SAINT & SADABS 0.071 0.105 0.949
12 i120Essehli CuH8K2O16P4 529.7 Pnma 292 MoKa tube Oxford Sapphire 2 CCD 17123 26.6 0.039 1572 125 Crysalis RED 0.044 0.071?
12 m497Adams C22H20ClCoN6O6 558.8 Pca21 150 MoKa tube B SMART 1000 23722 25.0 0.065 5164 336 SAINT 0.067 0.159 0.991
12 m501Lin C19H23CuN2O7 454.9 P21/n 296 MoKa tube B P4 6298 27.5 0.021 4483 296 XSCANS 0.042 0.101 1.000
12 m504Choi C15H26Cl2Hg1N2 505.9 P212121 293 MoKa tube EN CAD-4 5070 27.5 0.047 3935 181 XCAD4 0.077 0.082 1.000
12 m507Silva C8H23Cl3Cu2N2O7 492.7 P21/c 293 MoKa tube EN CAD-4 4372 27.5 0.029 4220 224 HELENA 0.053 0.087 0.996
12 m510Pestov C10H20CuN2O6 327.8 P21/n 295 MoKa tube B X8 APEX CCD area-de 3238 25.0 0.019 1553 91 APEX2 0.043 0.069 0.945
12 m513Chen C66H56Cl6Ir2N8O 1750.3 C2/c 292 MoKa tube S SMART CCD area-dete 17436 26.0 0.056 6526 437 SAINT 0.071 0.122 0.986
12 m516Lees CH6NS7Sb4 743.6 P21/n 100 MoKa BN Apex-2 CCD area-de 47592 30.2 0.032 3187 137 APEX-2 0.031 0.027 0.997
12 m519Bond C9H12N5NaO3Zn 326.6 P63/mmc 180 MoKa tube B N X8 APEXII CCD are 6400 30.6 0.024 407 30 SAINT 0.032 0.076 0.995
12 m523Deng C9H8O6Sr 299.8 Pbca 295 MoKa tube R R-AXIS RAPID 17416 27.5 0.059 2263 151 CrystalStructure 0.041 0.063 0.999
12 m526Glazar C24.04H23.06Cu2 637.4 C2/c 150 MoKa ? N KappaCCD 13938 27.5 0.026 2986 186 DENZO-SMN 0.066 0.044 0.982
12 m529Zhang C34H54FeO28S2 1030.7 P21/c 298 MoKa tube B SMART CCD area-dete 11468 25.0 0.039 4000 337 SAINT-Plus 0.076 0.113 0.999
12 m532You C14H9CdCl2N3OS 450.6 P21/c 298 MoKa tube B SMART CCD area-dete 13342 27.5 0.022 3640 199 SAINT 0.035 0.071 0.985
12 m535Chen C10H12K2NiO16 525.1 P21/n 293 MoKa tube S P4 2853 27.5 0.040 2022 134 XSCANS 0.051 0.083 0.999
12 m538Hu C12H18Br4.41Cd3 1083.2 P21/c 187 MoKa tube B SMART APEX CCD area 13339 26.0 0.026 5211 275 SAINT 0.037 0.060 0.996
12 m542Zhang C18H20ClMnN2O4 418.8 C2/c 123 MoKa tube R R-AXIS RAPID IP 6807 27.5 0.092 2054 122 CrystalStructure 0.052 0.103 0.991
12 o671McFarlane C29H42 390.6 P-1 193 MoKa tube B SMART 1000 CCD area 25454 25.0 0.036 13469 796 SAINT 0.105 0.190 0.997
12 o674Pan C13H24O11 356.3 C2 100 MoKa B SMART APEX CCD 11448 31.5 0.027 2845 225 SAINT & XPREP 0.034 0.095 1.000
12 o678Koroglu C16H14N4O6 358.3 C2/c 150 MoKa tube N KappaCCD 10470 27.5 0.051 1731 130 EvalCCD 0.061 0.105 0.994
12 o681Hempel C16H26BrNO3 360.3 P21/c 294 CuKa tube Picker FACS-1 4C 2858 65.0 0.017 2854 193 DATRDN: The System 0.079 0.085 0.999
12 o683Wardell C13H10N4O3 270.3 P21/c 120 MoKa BN FR91 RB N KappaCCD area-det 14989 27.5 0.038 2802 181 DENZO & COLLECT 0.050 0.112 0.995
12 o690Sikorski C22H14F5NO5S 499.4 P21/c 290 MoKa tube Kuma KM-4 3874 25.0 0.029 3700 309 KM-4 Software 0.138 0.144 0.999
12 o695MirmehrabiC10H12N2O4 224.2 P212121 296 MoKa tube N KappaCCD area-detec 13427 25.0 0.130 3680 296 DENZO-SMN 0.092 0.168 0.990
12 o699Ourhriss C17H25Cl2N3S 374.4 P212121 293 MoKa tube N KappaCCD area-detec 22028 26.0 0.036 3671 237 DENZO & SCALEPACK 0.032 0.072 0.989
12 o702Aakeroy C9H11NO2 165.2 P21 173 MoKa tube B SMART CCD area-dete 5542 25.0 0.054 1982 223 SAINT 0.078 0.132 0.919
12 o705Tripathi C12H18N2O4 254.3 P21 153 MoKa Stoe IPDS 2 8393 25.5 0.057 1244 165 Please provide mis 0.047 0.076 1.000
12 o707Tessler C34H47NO6 565.7 P21/c 110 MoKa tube N KappaCCD area-detec 22588 27.9 0.072 7172 396 DENZO 0.118 0.168 0.977
12 o711Baddeley C14H20O12 380.3 P21 120 MoKa EN FR591 N KappaCCD area-detec 6414 25.0 0.047 2131 248 DENZO & COLLECT 0.047 0.094 0.975
12 o715Yogavel C19H15NO5 337.3 P21/c 293 MoKa tube S SMART CCD area-dete 40492 28.3 0.048 15541 924 SAINT 0.142 0.210 0.937
12 o718Nichol C5H7N3O5 189.1 P-1 120 SR DaresburyB APEX2 CCD 3107 24.0 0.013 1462 152 SAINT 0.046 0.113 0.976
12 o722Dincer C10H17N4O6P 320.3 P-1 296 MoKa tube 12 xStoe IPDS 2 18714 26.0 0.096 5746 387 X-RED32 0.080 0.153 0.999
12 o725Soylu C24H26BrN3OS 484.5 P-1 293 MoKa tube STOE IPDS-II 27215 25.0 0.074 8041netscaX-RED32 0.072 0.099 1.000
12 o728Harrison C15H12Br2O 368.1 Cc 120 MoKa tube N KappaCCD 9478 27.5 0.029 3011 164 SCALEPACK DENZO & 0.029 0.058 0.999
12 o731Linden C20H21F2NO3 361.4 P-1 160 MoKa N FR590 tN KappaCCD area-detec 21670 30.0 0.053 4976 243 DENZO-SMN & SCALEP 0.089 0.137 0.996
12 o735Kodadi C18H25N5O2 343.4 P21/c 173 MoKa Oxford Diffraction Xc 14369 25.0 0.061 3128 243 CrysAlis RED 0.068 0.124 0.997
12 o738Tessler C38H57ClN2O7 689.3 P21 110 MoKa tube N KappaCCD 29123 27.9 0.071 15992 931 Denzo 0.093 0.115 0.989
12 o741Nesterov C19H20N2O3 324.4 P21/n 153 MoKa tube S P3/PC 3105 25.0 0.027 2907 220 SHELXTL-Plus 0.044 0.094 0.983
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Part PageAuth Formula Mr SPG CtempR_typeR_src Device REFallQmax Rint REFrefNpara Reduction Rall wRall Fraction
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