Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand
Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don; Organometallics 25 (2006) 4471–; doi:10.1021/om060492+

data_4083834
_publ_section_title
;
 Stoichiometric and Catalytic Reactions Involving Si&#x2212;H Bond
 Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              4471
_journal_paper_doi               10.1021/om060492+
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C25 H42 Ir N2 P2 Si '
_chemical_formula_sum            'C25 H42 Ir N2 P2 Si'
_chemical_formula_weight         652.87
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Wed May  4 15:44:02 2005'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 91.057(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.183(1)
_cell_length_b                   14.839(2)
_cell_length_c                   15.701(2)
_cell_measurement_reflns_used    2185
_cell_measurement_temperature    153.2
_cell_measurement_theta_max      22.0
_cell_measurement_theta_min      2.5
_cell_volume                     2838.0(6)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.631'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9959
_diffrn_measured_fraction_theta_max 0.9959
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16285
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.887
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             1308.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.43
_refine_diff_density_min         -0.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     283
_refine_ls_number_reflns         3830
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0315
_refine_ls_shift/su_max          0.0043
_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_all         0.0424
_refine_ls_wR_factor_ref         0.0355
_reflns_number_gt                3830
_reflns_number_total             5782
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om060492%2Bsi20060605_025645.cif
_cod_data_source_block           Dmitry_Karshtedt_n2irpme
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C25 H42 Ir N2 P2 Si '
_cod_database_code               4083834