Reactivity of a Disilylene [{PhC(NBut)2}Si]2 toward Bromine: Synthesis and Characterization of a Stable Monomeric Bromosilylene
Hui-Xian Yeong; Kai-Chung Lau; Hong-Wei Xi; Kok Hwa Lim; Cheuk-Wai So; Inorganic Chemistry 49 (2010) 371–373; doi:10.1021/ic9021382

data_4314611
_publ_section_title
;
 Reactivity of a Disilylene [{PhC(NBut)2}Si]2 toward Bromine: Synthesis
 and Characterization of a Stable Monomeric Bromosilylene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              371
_journal_page_last               373
_journal_paper_doi               10.1021/ic9021382
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C15 H23 Br N2 Si'
_chemical_formula_weight         339.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 116.280(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2389(11)
_cell_length_b                   11.1641(8)
_cell_length_c                   11.9823(9)
_cell_measurement_temperature    103(2)
_cell_volume                     1707.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0357
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7803
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    2.468
_exptl_absorpt_correction_T_max  0.7561
_exptl_absorpt_correction_T_min  0.6650
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.190
_refine_diff_density_min         -0.380
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1507
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0636
_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^)+(0.0914P)^2^+7.5899P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1665
_refine_ls_wR_factor_ref         0.1899
_reflns_number_gt                1014
_reflns_number_total             1507
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9021382_si_002.cif
_cod_data_source_block           cws1
_cod_database_code               4314611