(<i>OC</i>-6-33)-(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')trimethyl(2-methylsulfanyl-2-thiazoline-κ<i>N</i>)platinum(IV) tetrafluoridoborate
Vetter, Cornelia; Bruhn, Clemens; Steinborn, Dirk; Acta Crystallographica Section E 66 (2010) m941–m942; doi:10.1107/S1600536810027546

data_2226934
_publ_section_title
;
 (<i>OC</i>-6-33)-(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')trimethyl(2-methylsulfanyl-2-thiazoline-\k<i>N</i>)platinum(IV)
 tetrafluoridoborate
;
_journal_coeditor_code           HY2325
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m941
_journal_page_last               m942
_journal_paper_doi               10.1107/S1600536810027546
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pt (C H3)3 (C10 H8 N2) (C4 H7 N S2)] B F4'
_chemical_formula_moiety         'C17 H24 N3 Pt S2 +, B F4 -'
_chemical_formula_sum            'C17 H24 B F4 N3 Pt S2'
_chemical_formula_weight         616.41
_chemical_name_systematic
;
(<i>OC</i>-6-33)-(2,2'-bipyridine-\k^2^N,N)(2-methylsulfanyl-2-thiazoline-\kN)
trimethylplatinum(IV) tetrafluoroborate
;
_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                106.776(6)
_cell_angle_beta                 106.690(6)
_cell_angle_gamma                97.050(6)
_cell_formula_units_Z            4
_cell_length_a                   10.5163(8)
_cell_length_b                   13.2441(11)
_cell_length_c                   17.1372(14)
_cell_measurement_reflns_used    24955
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.61
_cell_measurement_theta_min      1.65
_cell_volume                     2133.3(3)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'Stoe IPDS-2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_sigmaI/netI    0.0621
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15501
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    6.815
_exptl_absorpt_correction_T_max  0.2593
_exptl_absorpt_correction_T_min  0.0816
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-RED; Stoe & Cie, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_refine_diff_density_max         2.724
_refine_diff_density_min         -4.033
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         7133
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0448
_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^)+(0.0874P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1180
_reflns_number_gt                6275
_reflns_number_total             7133
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2325.cif
_cod_data_source_block           I
_cod_database_code               2226934
_cod_database_fobs_code          2226934