Syntheses and Structures of Platinum Siloxides Bridged by a Sulfur or Selenium Atom and a Unique 1,3-Aryl Migration from Silicon to Platinum through the Si−O−Pt Linkages
Tanabe, Taro; Mizuhata, Yoshiyuki; Takeda, Nobuhiro; Tokitoh, Norihiro; Organometallics 27 (2008) 2156–; doi:10.1021/om800210g

data_4071535
_publ_section_title
;
 Syntheses and Structures of Platinum Siloxides Bridged by a Sulfur or
 Selenium Atom and a Unique 1,3-Aryl Migration from Silicon to Platinum
 through the Si&#x2212;O&#x2212;Pt Linkages
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2156
_journal_paper_doi               10.1021/om800210g
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C72 H100 O P2 Pt Se Si7, 2(C6 H6)'
_chemical_formula_sum            'C84 H112 O P2 Pt Se Si7'
_chemical_formula_weight         1670.36
_chemical_name_common            SiOSePt
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.098(2)
_cell_angle_beta                 104.790(2)
_cell_angle_gamma                90.279(2)
_cell_formula_units_Z            2
_cell_length_a                   13.5365(9)
_cell_length_b                   16.6705(12)
_cell_length_c                   21.2730(19)
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.67
_cell_volume                     4239.5(6)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'RIGAKU Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0612
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            35874
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    2.263
_exptl_absorpt_correction_T_max  0.6603
_exptl_absorpt_correction_T_min  0.6603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.004
_refine_diff_density_min         -0.546
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     911
_refine_ls_number_reflns         14863
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0443
_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^)+(0.0214P)^2^+4.0714P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0779
_reflns_number_gt                13033
_reflns_number_total             14863
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800210g-file002.cif
_cod_data_source_block           SiOSePt
_cod_database_code               4071535