<i>cis</i>-[1,2-Bis(propylsulfinyl)ethane-<i>S</i>,<i>S</i>']dichloroplatinum(II)
De Azevedo, Jnr, W. F.; Mascarenhas, Y. P.; De Sousa, G. F.; Filgueiras, C. A. L.; Acta Crystallographica Section C 51 (1995) 619–621; doi:10.1107/S0108270194009868

data_2003314
_publ_section_title
<i>cis</i>-[1,2-Bis(propylsulfinyl)ethane-<i>S</i>,<i>S</i>']dichloroplatinum(II)
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              619
_journal_page_last               621
_journal_paper_doi               10.1107/S0108270194009868
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C8 H18 Cl2 O2 Pt S2'
_chemical_formula_weight         476.34
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'Cromer & Mann (1968)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.360(2)
_cell_length_b                   9.793(2)
_cell_length_c                   19.369(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      22.68
_cell_measurement_theta_min      13.45
_cell_volume                     1396.0(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.04
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1464
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        'not significant'
_diffrn_standards_interval_time  30
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    10.81
_exptl_absorpt_correction_T_max  0.683
_exptl_absorpt_correction_T_min  0.392
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.27
_exptl_crystal_description       'rectangular plate'
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.31
_refine_diff_density_min         -3.83
_refine_ls_goodness_of_fit_obs   1.43
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1369
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 2.4089/[\s^2^(F~o~) + 0.00071F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.052
_reflns_number_observed          1369
_reflns_number_total             1437
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            bk1039.cif
_cod_data_source_block           bk1039a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 2.4089/[\s^2^(F~o~) +
0.00071F~o~^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 2.4089/[\s^2^(F~o~) + 0.00071F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1396.1(4)
_cod_database_code               2003314