Chlorido{5-chloro-2-[2-(methylsulfanyl)phenyldiazenyl]phenyl}platinum(II)
Bagchi, Vivek; Bandyopadhyay, Debkumar; Acta Crystallographica Section E 64 (2008) m359–m359; doi:10.1107/S1600536808000767

data_2217396
_publ_section_title
;
 Chlorido{5-chloro-2-[2-(methylsulfanyl)phenyldiazenyl]phenyl}platinum(II)
;
_journal_coeditor_code           AT2531
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m359
_journal_page_last               m359
_journal_paper_doi               10.1107/S1600536808000767
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Pt (C13 H10 Cl N2 S) Cl]'
_chemical_formula_moiety         'C13 H10 Cl2 N2 Pt S'
_chemical_formula_sum            'C13 H10 Cl2 N2 Pt S'
_chemical_formula_weight         492.28
_chemical_name_systematic
;
Chlorido{5-chloro-2-[2-(methylsulfanyl)phenyldiazenyl]phenyl}platinum(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                105.428(4)
_cell_angle_beta                 91.798(4)
_cell_angle_gamma                96.641(4)
_cell_formula_units_Z            2
_cell_length_a                   7.424(2)
_cell_length_b                   8.777(3)
_cell_length_c                   11.069(3)
_cell_measurement_reflns_used    2472
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.500
_cell_measurement_theta_min      0.996
_cell_volume                     689.1(4)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6783
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    10.70
_exptl_absorpt_correction_T_max  0.134
_exptl_absorpt_correction_T_min  0.035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             460.0
_exptl_crystal_size_max          0.423
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.188
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.886
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2544
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0182
_refine_ls_R_factor_gt           0.0176
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0209P)^2^+0.4377P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0427
_refine_ls_wR_factor_ref         0.0430
_reflns_number_gt                2472
_reflns_number_total             2544
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2531.cif
_cod_data_source_block           I
_cod_database_code               2217396
_cod_database_fobs_code          2217396