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_4071536
_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 H102 O2 P2 Pt Se Si7'
_chemical_formula_sum            'C72 H102 O2 P2 Pt Se Si7'
_chemical_formula_weight         1532.16
_chemical_name_common            SiOSePt_mig
_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                85.157(16)
_cell_angle_beta                 73.344(13)
_cell_angle_gamma                71.051(13)
_cell_formula_units_Z            2
_cell_length_a                   13.5846(2)
_cell_length_b                   16.1667(3)
_cell_length_c                   19.3688(9)
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.30
_cell_volume                     3854.2(4)
_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  0.1307
_diffrn_reflns_av_sigmaI/netI    0.1815
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            32522
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    2.483
_exptl_absorpt_correction_T_max  0.7893
_exptl_absorpt_correction_T_min  0.6365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1580
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.935
_refine_diff_density_min         -1.182
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     789
_refine_ls_number_reflns         13506
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.1422
_refine_ls_R_factor_gt           0.0977
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0561P)^2^+16.0041P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1821
_refine_ls_wR_factor_ref         0.2050
_reflns_number_gt                9534
_reflns_number_total             13506
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800210g-file003.cif
_cod_data_source_block           SiOSePt_mig
_cod_original_cell_volume        3854.2(2)
_cod_database_code               4071536