Novel Disilaplatinacyclopentenes Bearing Dialkylsulfide Ligands: Preparation, Characterization, and Mechanistic Consideration of Hydrosilane Reduction of Carboxamides by Bifunctional Organohydrosilanes
Tsutsumi, Hironori; Sunada, Yusuke; Nagashima, Hideo; Organometallics 30 (2011) 68–; doi:10.1021/om100867f

data_4063715
_publ_section_title
;
 Novel Disilaplatinacyclopentenes Bearing Dialkylsulfide Ligands:
 Preparation, Characterization, and Mechanistic Consideration of
 Hydrosilane Reduction of Carboxamides by Bifunctional Organohydrosilanes
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              68
_journal_paper_doi               10.1021/om100867f
_journal_volume                  30
_journal_year                    2011
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C22 H38 Pt S Si4 '
_chemical_formula_sum            'C22 H38 Pt S Si4'
_chemical_formula_weight         642.03
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 92.359(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   8.6106(13)
_cell_length_b                   16.235(2)
_cell_length_c                   9.8012(13)
_cell_measurement_reflns_used    4776
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1369.0(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10873
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    5.363
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            darkorange
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             640.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.84
_refine_diff_density_min         -1.52
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  2775 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.006(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     292
_refine_ls_number_reflns         5941
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.0076
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0759
_reflns_number_gt                5776
_reflns_number_total             5941
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100867f_si_001.cif
_cod_data_source_block           '__(Si)4Pt(S)(1)'
_cod_original_formula_sum        'C22 H38 Pt S Si4 '
_cod_database_code               4063715