<i>cis</i>-Dichloro(di-<i>n</i>-butyl sulfide)(tri-<i>n</i>-butylphosphine)platinum(II)
Michaud-Soret, I.; Kozelka, J.; Bois, C.; Acta Crystallographica Section C 49 (1993) 589–591; doi:10.1107/S0108270192010266

data_2016895
_publ_section_title
;
 <i>cis</i>-Dichloro(di-<i>n</i>-butyl
 sulfide)(tri-<i>n</i>-butylphosphine)platinum(II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              589
_journal_page_last               591
_journal_paper_doi               10.1107/S0108270192010266
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H45 Cl2 P Pt S'
_chemical_formula_weight         614.6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90.24(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.930(10)
_cell_length_b                   23.029(8)
_cell_length_c                   12.807(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    291
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     5583(4)
_diffrn_measurement_device       'Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7479
_diffrn_reflns_theta_max         22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    5.40
_exptl_absorpt_correction_T_max  1.08
_exptl_absorpt_correction_T_min  0.85
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.46
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.75
_refine_diff_density_min         -1.23
_refine_ls_hydrogen_treatment    'H atoms not introduced'
_refine_ls_number_parameters     452
_refine_ls_number_reflns         2601
_refine_ls_R_factor_obs          0.061
_refine_ls_shift/esd_max         0.21
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.069
_reflns_number_observed          2601
_reflns_number_total             6816
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            pa1017.cif
_cod_data_source_block           pa1017_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w = 1'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5584(4)
_cod_original_formula_sum        'C20 H45 Cl2 P1 Pt1 S1'
_cod_database_code               2016895