(Pyridine-2-thiolato-<i>N</i>,<i>S</i>)bis(triphenylphosphine)platinum(II) hexafluorophosphate chloroform solvate
Wang, S.; Staples, R.J.; Fackler, J.P.; Acta Crystallographica Section C 50 (1994) 889–891; doi:10.1107/S0108270193011813

data_2009761
_publ_section_title
;
 (Pyridine-2-thiolato-<i>N</i>,<i>S</i>)bis(triphenylphosphine)platinum(II)
 hexafluorophosphate chloroform solvate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              889
_journal_page_last               891
_journal_paper_doi               10.1107/S0108270193011813
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C42 H35 Cl3 F6 N P3 Pt S'
_chemical_formula_weight         1094.2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                92.96(2)
_cell_angle_beta                 94.730(10)
_cell_angle_gamma                92.75(2)
_cell_formula_units_Z            2
_cell_length_a                   10.6130(10)
_cell_length_b                   13.313(3)
_cell_length_c                   15.272(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      20
_cell_measurement_theta_min      15
_cell_volume                     2144.6(7)
_diffrn_measurement_device       'Nicolet R3m/E'
_diffrn_measurement_method       Wycoff
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5617
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        3
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    3.85
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.419
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.69
_exptl_crystal_description       rectangular
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.51
_refine_diff_density_min         -1.04
_refine_ls_extinction_coef       '0.0, 0.0'
_refine_ls_extinction_method     larson
_refine_ls_goodness_of_fit_obs   1.241
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     514
_refine_ls_number_reflns         4698
_refine_ls_R_factor_obs          0.0399
_refine_ls_shift/esd_max         0.006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~)+0.00140F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0521
_reflns_number_observed          4698
_reflns_number_total             5276
_reflns_observed_criterion       F~o~^2^>3\s(F~o~)^2^
_cod_data_source_file            br1051.cif
_cod_data_source_block           br1051_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~)+0.00140F~o~^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F~o~)+0.00140F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2144.7(6)
_cod_original_formula_sum        'C42 H35 Cl3 F6 N1 P3 Pt1 S1'
_cod_database_code               2009761