Carbon–Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor
Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro; Organometallics 30 (2011) 5110–; doi:10.1021/om200345h

data_4064805
_publ_section_title
;
 Carbon--Hydrogen Bond Cleavage Reaction in Four-Coordinate
 (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic
 Acceleration by Thiolato Hydrogen Acceptor
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5110
_journal_paper_doi               10.1021/om200345h
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C44.50 H47 Cl P2 Pt S2'
_chemical_formula_sum            'C44.5 H47 Cl P2 Pt S2'
_chemical_formula_weight         938.47
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   16.503(2)
_cell_length_b                   16.256(2)
_cell_length_c                   32.140(4)
_cell_measurement_reflns_used    19527
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.04
_cell_volume                     8622.3(18)
_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    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0289
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            60763
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.504
_exptl_absorpt_correction_T_max  0.704
_exptl_absorpt_correction_T_min  0.522
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3768.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.980
_refine_diff_density_min         -1.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     454
_refine_ls_number_reflns         9858
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0510
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0863P)^2^+26.4799P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1569
_reflns_number_gt                8145
_reflns_number_total             9858
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om200345h_si_003.cif
_cod_data_source_block           Compound-4f
_cod_original_cell_volume        8622.5(19)
_cod_original_formula_sum        'C44.50 H47 Cl P2 Pt S2'
_cod_database_code               4064805