An Observable Silene/Silylene Rearrangement in a Cationic Iridium Complex
Klei, Steven R.; Tilley, T. Don; Bergman, Robert G.; Organometallics 20 (2001) 3220–; doi:10.1021/om010435a

data_4077378
_publ_section_title
;
 An Observable Silene/Silylene Rearrangement in a Cationic Iridium Complex
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3220
_journal_paper_doi               10.1021/om010435a
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C87 H80 B2 Cl4 F40 Ir2 P2 Si2'
_chemical_formula_weight         2551.52
_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'
_audit_creation_date             'Thu May 24 14:45:41 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                110.337(1)
_cell_angle_beta                 91.310(1)
_cell_angle_gamma                100.383(1)
_cell_formula_units_Z            2
_cell_length_a                   13.9503(7)
_cell_length_b                   17.4048(9)
_cell_length_c                   22.577(1)
_cell_measurement_reflns_used    4940
_cell_measurement_temperature    171.2
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      1.5
_cell_volume                     5034.1(4)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.0'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9838
_diffrn_measured_fraction_theta_max 0.9838
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.069
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14242
_diffrn_reflns_theta_full        23.27
_diffrn_reflns_theta_max         23.27
_exptl_absorpt_coefficient_mu    7.238
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       massy
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.110
_refine_diff_density_max         2.22
_refine_diff_density_min         -1.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.160
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     847
_refine_ls_number_reflns         6302
_refine_ls_R_factor_gt           0.0711
_refine_ls_shift/su_max          0.0708
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                6302
_reflns_number_total             14242
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om010435a.cif
_cod_data_source_block           Steven_Klei's_Si_C_bonded_
_cod_original_cell_volume        5034.2(5)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C87 H80 B2 Cl4 F40 Ir2 P2 Si2 '
_cod_database_code               4077378