(<i>OC</i>-6-35)-(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dimethyl(3-sulfidopropionato-κ^2^<i>S</i>,<i>O</i>)platinum(IV)
McCready, Matthew S.; Puddephatt, Richard J.; Acta Crystallographica Section E 67 (2011) m604–m605; doi:10.1107/S1600536811013626

data_2230157
_publ_section_title
;
 (<i>OC</i>-6-35)-(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')dimethyl(3-sulfidopropionato-\k^2^<i>S</i>,<i>O</i>)platinum(IV)
;
_journal_coeditor_code           TK2735
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m604
_journal_page_last               m605
_journal_paper_doi               10.1107/S1600536811013626
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt (C H3)2 (C3 H4 O2 S1) (C10 H8 N2)]'
_chemical_formula_moiety         'C15 H18 N2 O2 Pt S'
_chemical_formula_sum            'C15 H18 N2 O2 Pt S'
_chemical_formula_weight         485.46
_chemical_name_systematic
;
(<i>OC</i>-6-35)-(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')dimethyl(3-
sulfidopropionato-\k^2^<i>S</i>,<i>O</i>)platinum(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 98.978(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0759(6)
_cell_length_b                   7.7487(3)
_cell_length_c                   14.2306(5)
_cell_measurement_reflns_used    7767
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.93
_cell_measurement_theta_min      2.22
_cell_volume                     1533.11(10)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_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      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0737
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            52534
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    9.293
_exptl_absorpt_correction_T_max  0.8580
_exptl_absorpt_correction_T_min  0.7075
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2006)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.103
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.919
_refine_diff_density_min         -1.423
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         4672
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0262
_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^)+(0.0113P)^2^+3.0575P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0447
_refine_ls_wR_factor_ref         0.0485
_reflns_number_gt                3735
_reflns_number_total             4672
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2735.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2230157
_cod_database_fobs_code          2230157