<i>trans</i>-Di-μ-chloro-bis[(dimethyl sulfoxide-κ<i>S</i>)phenylplatinum(II)]
Patrik Nilsson; Ola F. Wendt; Acta Crystallographica Section E 58 (2002) m639–m640; doi:10.1107/S1600536802018421

data_2201465
_publ_section_title
;
 <i>trans</i>-Di-\m-chloro-bis[(dimethyl
 sulfoxide-\k<i>S</i>)phenylplatinum(II)]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m639
_journal_page_last               m640
_journal_paper_doi               10.1107/S1600536802018421
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Pt2 Cl2 (C6 H5)2 (C 2 H6 O1 S1)2]'
_chemical_formula_moiety         '[Pt2 Cl2 (C6 H5)2 (C 2 H6 O1 S1)2]'
_chemical_formula_sum            'C16 H22 Cl2 O2 Pt2 S2'
_chemical_formula_weight         771.54
_chemical_name_common            '[Pt(\m-Cl)Ph(dmso)]~2~'
_chemical_name_systematic
;
trans-Di-\m-chloro-bis[(dimethyl sulfoxide\kO)phenylplatinum(II)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.24(3)
_cell_angle_beta                 102.01(3)
_cell_angle_gamma                94.91(3)
_cell_formula_units_Z            1
_cell_length_a                   5.9625(12)
_cell_length_b                   8.0026(16)
_cell_length_c                   11.388(2)
_cell_measurement_reflns_used    3272
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.090
_cell_measurement_theta_min      2.598
_cell_volume                     520.6(2)
_computing_cell_refinement       'SAINT (Bruker, 1995)'
_computing_data_collection       'SMART (Bruker, 1995)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.908
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6421
_diffrn_reflns_theta_full        31.58
_diffrn_reflns_theta_max         31.58
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    13.885
_exptl_absorpt_correction_T_max  0.359
_exptl_absorpt_correction_T_min  0.145
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             356
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.633
_refine_diff_density_min         -2.576
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         3170
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0771P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1198
_reflns_number_gt                2621
_reflns_number_total             3170
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6153.cif
_cod_data_source_block           I
_cod_original_cell_volume        520.59(18)
_cod_database_code               2201465
_cod_database_fobs_code          2201465