Chlorido(dimethyl sulfoxide-κ<i>S</i>)[2-(2-pyridyl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]platinum(II)
Kobayashi, Masayuki; Masaoka, Shigeyuki; Sakai, Ken; Acta Crystallographica Section E 64 (2008) m1325–; doi:10.1107/S1600536808030109

data_2219491
_publ_section_title
;Chlorido(dimethyl
 sulfoxide-\k<i>S</i>)[2-(2-pyridyl)phenyl-\k^2^<i>N</i>,<i>C</i>^1^]platinum(II)
;
_journal_coeditor_code           AT2633
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1325
_journal_paper_doi               10.1107/S1600536808030109
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Pt (C11 H8 N) Cl (C2 H6 O S)]'
_chemical_formula_moiety         'C13 H14 Cl N O Pt S'
_chemical_formula_sum            'C13 H14 Cl N O Pt S'
_chemical_formula_weight         462.85
_chemical_name_systematic
;
Chlorido(dimethyl sulfoxide-\kS)[2-(2-pyridyl)phenyl-\k^2^N,C^1^]platinum(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 124.512(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.414(3)
_cell_length_b                   10.0205(16)
_cell_length_c                   14.057(2)
_cell_measurement_reflns_used    3936
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.50
_cell_volume                     2601.6(7)
_computing_cell_refinement       'APEX2 (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'KENX (Sakai, 2004)'
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008), TEXSAN (Molecular Structure Corporation,
2001),
KENX (Sakai, 2004) and ORTEPII (Johnson, 1976)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'Bruker SMART APEX CCD-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode with a mirror focusing unit'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0228
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7004
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.21
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    11.138
_exptl_absorpt_correction_T_max  0.640
_exptl_absorpt_correction_T_min  0.486
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.363
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.049
_refine_diff_density_min         -1.425
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     165
_refine_ls_number_reflns         2850
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0231
_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^)+(0.0295P)^2^+15.2156P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                2448
_reflns_number_total             2850
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2633.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2219491
_cod_database_fobs_code          2219491