Sulfur containing platinum(II) complexes with N-heterocyclic carbene ligands obtained by reactions of a hydrosulfido complex.
Maeda, Yuri; Hashimoto, Hideki; Nishioka, Takanori; Dalton transactions (Cambridge, England : 2003) 41 (2012) 12038–12047; doi:10.1039/c2dt30597f

data_7020128
_publ_section_title
;
 Sulfur containing platinum(II) complexes with N-heterocyclic carbene
 ligands obtained by reactions of a hydrosulfido complex.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12038
_journal_page_last               12047
_journal_paper_doi               10.1039/c2dt30597f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C79.50 H85 B2 Cl3 N12 Pt3 S2'
_chemical_formula_sum            'C79.5 H85 B2 Cl3 N12 Pt3 S2'
_chemical_formula_weight         1986.00
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                66.813(6)
_cell_angle_beta                 83.602(8)
_cell_angle_gamma                60.931(5)
_cell_formula_units_Z            2
_cell_length_a                   16.4354(6)
_cell_length_b                   16.85850(10)
_cell_length_c                   18.2267(5)
_cell_measurement_reflns_used    13428
_cell_measurement_temperature    193
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      4.02
_cell_volume                     4037.4(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.947
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            42363
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.364
_exptl_absorpt_correction_T_max  0.948
_exptl_absorpt_correction_T_min  0.528
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1946.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.920
_refine_diff_density_min         -2.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     919
_refine_ls_number_reflns         15625
_refine_ls_number_restraints     4
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0600P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1376
_reflns_number_gt                11850
_reflns_number_total             15625
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2dt30597f.txt
_cod_data_source_block           Pt3S2BPh4-revised
_cod_original_formula_sum        'C79.50 H85 B2 Cl3 N12 Pt3 S2'
_cod_database_code               7020128