Synthesis and Reactivities of Sulfido-bridged Ir‒W and Ir‒Re Heterodinuclear Complexes with Imido Ligands
Arashiba, Kazuya; Tanabe, Yoshiaki; Ishii, Youichi; Chemistry Letters 36 (2007) 622–; doi:10.1246/cl.2007.622

data_8000166
_publ_section_title
;
 Synthesis and Reactivities of Sulfido-bridged Ir--W and Ir--Re
 Heterodinuclear Complexes with Imido Ligands
;
_journal_issue                   5
_journal_name_full               'Chemistry Letters'
_journal_page_first              622
_journal_paper_doi               10.1246/cl.2007.622
_journal_volume                  36
_journal_year                    2007
_chemical_formula_moiety         'C73 H66 B F24 Ir N2 P S2 Re '
_chemical_formula_sum            'C73 H66 B F24 Ir N2 P Re S2'
_chemical_formula_weight         1911.63
_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'
_cell_angle_alpha                89.15(5)
_cell_angle_beta                 86.44(4)
_cell_angle_gamma                77.36(4)
_cell_formula_units_Z            2
_cell_length_a                   13.817(8)
_cell_length_b                   15.322(15)
_cell_length_c                   17.809(15)
_cell_measurement_reflns_used    174
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.3
_cell_volume                     3672(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.637
_diffrn_measured_fraction_theta_max 0.637
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33398
_diffrn_reflns_theta_full        31.68
_diffrn_reflns_theta_max         31.68
_exptl_absorpt_coefficient_mu    3.646
_exptl_absorpt_correction_T_max  0.335
_exptl_absorpt_correction_T_min  0.180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1876.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.83
_refine_diff_density_min         -1.69
_refine_ls_extinction_coef       101(6)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1013
_refine_ls_number_reflns         12413
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0003Fo^2^ + 2.1000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0383
_reflns_number_gt                12413
_reflns_number_total             15819
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            36-622sup1.cif
_cod_data_source_block           '__Cp*Ir(PMe3)(m-S)2Re(NAr')2BArF4_2C6H6'
_cod_original_formula_sum        'C73 H66 B F24 Ir N2 P S2 Re '
_cod_database_code               8000166