Synthesis of an Arylbromosilylene‒Platinum Complex by Using a 1,2-Dibromodisilene As a Silylene Source
Agou, Tomohiro; Sasamori, Takahiro; Tokitoh, Norihiro; Organometallics 31 (2012) 1150–; doi:10.1021/om201227p

data_4068209
_publ_section_title
;
 Synthesis of an Arylbromosilylene--Platinum Complex by Using a
 1,2-Dibromodisilene As a Silylene Source
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              1150
_journal_paper_doi               10.1021/om201227p
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C66 H133 Br P2 Pt Si8'
_chemical_formula_sum            'C66 H133 Br P2 Pt Si8'
_chemical_formula_weight         1488.38
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   54.9060(5)
_cell_length_b                   54.906
_cell_length_c                   14.2772(2)
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      0.74
_cell_volume                     37274.6(6)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        HKL2000
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
;
Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0797
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_max       66
_diffrn_reflns_limit_h_min       -66
_diffrn_reflns_limit_k_max       66
_diffrn_reflns_limit_k_min       -66
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            190062
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         0.74
_exptl_absorpt_coefficient_mu    2.363
_exptl_absorpt_correction_T_max  0.9768
_exptl_absorpt_correction_T_min  0.7980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Jacobson, R. (1998) Private communication
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.194
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             14112
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         3.045
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     849
_refine_ls_number_reflns         15287
_refine_ls_number_restraints     366
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0703P)^2^+248.6685P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1340
_reflns_number_gt                12521
_reflns_number_total             15287
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om201227p_si_002.cif
_cod_data_source_block           ptsi
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               4068209