Acid‒Base Bifunction and Umpolung of the Bridging Hydride in a Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium Complex
Arita, Hiroko; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao; Organometallics 27 (2008) 493–; doi:10.1021/om7009705

data_4070733
_publ_section_title
;
 Acid--Base Bifunction and Umpolung of the Bridging Hydride in a
 Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium
 Complex
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              493
_journal_paper_doi               10.1021/om7009705
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C22 H34 Cl Ir2 N O3 S '
_chemical_formula_sum            'C22 H34 Cl Ir2 N O3 S'
_chemical_formula_weight         812.47
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   16.469(7)
_cell_length_b                   15.342(7)
_cell_length_c                   20.655(9)
_cell_measurement_reflns_used    14139
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      2.4
_cell_volume                     5219(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.092
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            57408
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         30.86
_exptl_absorpt_coefficient_mu    10.422
_exptl_absorpt_correction_T_max  0.044
_exptl_absorpt_correction_T_min  0.032
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.068
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3072.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         3.90
_refine_diff_density_min         -3.12
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     305
_refine_ls_number_reflns         5989
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0009Fo^2^ + 0.7500\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1456
_reflns_number_gt                3568
_reflns_number_total             5989
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om7009705-file011.cif
_cod_data_source_block           '__4'
_cod_original_formula_sum        'C22 H34 Cl Ir2 N O3 S '
_cod_database_code               4070733