Space Group         Orthorhombic, P21 21 2
_cell_length_a                    34.988(1)
_cell_length_b                    23.381(1)
_cell_length_c                    18.8662(5)
_cell_volume                      15433.4(12)
_cell_formula_units_Z             8
_diffrn_reflns_number             28227
_reflns_number_total              11453
_reflns_number_gt                 9329
_diffrn_reflns_av_R_equivalents   0.0462
_diffrn_measurement_device_type   'Rigaku XtaLAB P200K'
_refine_ls_R_factor_all           0.1793
_refine_ls_R_factor_gt            0.1650
_refine_ls_wR_factor_ref          0.4081
_refine_ls_wR_factor_gt           0.4007

INTENSITY STATISTICS
 Resolution  #Data #Theory %Complete Redundancy Mean I Mean I/s R(int) R(sigma)

 Inf - 2.75     494    497     99.4     4.70      43.7   28.63  0.0362  0.0370
2.75 - 2.15     485    485    100.0     5.18      12.8   28.08  0.0475  0.0341
2.15 - 1.85     522    522    100.0     5.17       7.9   24.60  0.0601  0.0387
1.85 - 1.65     586    586    100.0     4.88       3.9   20.08  0.0788  0.0449
1.65 - 1.50     657    658     99.8     4.63       2.3   15.77  0.0896  0.0560
1.50 - 1.40     594    594    100.0     4.36       1.3   11.25  0.1166  0.0799
1.40 - 1.30     794    794    100.0     4.08       1.1    9.47  0.1217  0.0960
1.30 - 1.25     491    491    100.0     3.84       0.9    7.42  0.1608  0.1200
1.25 - 1.20     579    581     99.7     3.64       0.8    6.51  0.1725  0.1341
1.20 - 1.15     692    692    100.0     3.47       0.7    5.83  0.1886  0.1586
1.15 - 1.10     810    810    100.0     3.19       0.6    5.05  0.1954  0.1778
1.10 - 1.05     960    961     99.9     2.94       0.4    3.35  0.2610  0.2844
1.05 - 1.00    1173   1186     98.9     2.58       0.2    2.05  0.4074  0.4950
1.00 - 0.98     456    594     76.8     1.58       0.1    1.21  0.6194  0.9015
------------------------------------------------------------------------------
 Inf - 0.98    9293   9451     98.3     3.71       4.3   10.61  0.0565  0.0519