Trichlorido{1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-κ^3^<i>C</i>,<i>N</i>,<i>S</i>}platinum(IV)
Bagchi, Vivek; Das, Purak; Bandyopadhyay, Debkumar; Acta Crystallographica Section E 63 (2007) m1940–m1940; doi:10.1107/S160053680702898X

data_2214091
_publ_section_title
Trichlorido{1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-\k^3^<i>C</i>,<i>N</i>,<i>S</i>}platinum(IV)
_journal_coeditor_code           BT2390
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1940
_journal_page_last               m1940
_journal_paper_doi               10.1107/S160053680702898X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt (C13 H11 N2 S) Cl3]'
_chemical_formula_moiety         'C13 H11 Cl3 N2 Pt S'
_chemical_formula_sum            'C13 H11 Cl3 N2 Pt S'
_chemical_formula_weight         528.74
_chemical_name_systematic
;
Trichlorido{1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-\
\k^3^<i>C</i>,<i>N</i>,<i>S</i>}platinum(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.799(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.765(2)
_cell_length_b                   16.858(5)
_cell_length_c                   12.031(3)
_cell_measurement_reflns_used    2515
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.13
_cell_volume                     1515.4(7)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_sigmaI/netI    0.0576
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13366
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.914
_exptl_absorpt_correction_T_max  0.225
_exptl_absorpt_correction_T_min  0.163
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.411
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.423
_refine_diff_density_min         -2.845
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.247
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         2515
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.247
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0331P)^2^+10.465P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1161
_reflns_number_gt                2339
_reflns_number_total             2515
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2390.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214091
_cod_database_fobs_code          2214091