Structure of [Cr~3~O(OOCCH~3~)~6~(OH~2~)~3~]Cl.3[SC(NH~2~)~2~].2H~2~O
Karu, E.; Anson, C. E.; Cannon, R. D.; Jayasooriya, U. A.; Powell, A. K.; Acta Crystallographica Section C 49 (1993) 1929–1932; doi:10.1107/S0108270193004548

data_2001215
_publ_section_title
;
 Structure of [Cr~3~O(OOCCH~3~)~6~(OH~2~)~3~]Cl.3[SC(NH~2~)~2~].2H~2~O
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1929
_journal_page_last               1932
_journal_paper_doi               10.1107/S0108270193004548
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C15 H40 Cl Cr3 N6 O18 S3'
_chemical_formula_weight         880.13
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source           'Cromer & Waber (1974)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.156(2)
_cell_length_b                   17.340(3)
_cell_length_c                   13.472(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      12.9
_cell_measurement_theta_min      3.1
_cell_volume                     3540.5(9)
_diffrn_measurement_device       'Nicolet-Siemens P3/V'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8705
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        'no significant variation'
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.20
_exptl_absorpt_correction_T_max  0.265
_exptl_absorpt_correction_T_min  0.225
_exptl_absorpt_correction_type   'spherical (\y scan)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.65
_exptl_crystal_description       block
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.524
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.62
_refine_ls_number_parameters     286
_refine_ls_number_reflns         3482
_refine_ls_R_factor_obs          0.0513
_refine_ls_shift/esd_max         '0.504 [for y of H(42)]'
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.00005F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0447
_reflns_number_observed          3482
_reflns_number_total             4209
_reflns_observed_criterion       F~obs~>=5\s(F~obs~)
_cod_data_source_file            al1037.cif
_cod_data_source_block           al1037_structure_1_of_1
_cod_depositor_comments
;
 Commenting out incorrect symmetry operators:

_cod_original_cell_volume        3540.4(8)
_cod_original_formula_sum        'C15 H40 Cl1 Cr3 N6 O18 S3'
_cod_database_code               2001215