Trapping of a Doubly Unsaturated Dinuclear Iridium(II) Sulfonylimido Complex with Phosphine and Lewis Acidic Group 11 and 12 Metals
Kimura, Takashi; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao; Organometallics 31 (2012) 1204–; doi:10.1021/om201218j

data_4068205
_publ_section_title
;
 Trapping of a Doubly Unsaturated Dinuclear Iridium(II) Sulfonylimido
 Complex with Phosphine and Lewis Acidic Group 11 and 12 Metals
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              1204
_journal_paper_doi               10.1021/om201218j
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C24 H42 Ir2 N O2 P S'
_chemical_formula_sum            'C24 H42 Ir2 N O2 P S'
_chemical_formula_weight         824.08
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.287(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.008(2)
_cell_length_b                   15.888(3)
_cell_length_c                   15.922(4)
_cell_measurement_reflns_used    11106
_cell_measurement_temperature    193
_cell_measurement_theta_max      31.50
_cell_measurement_theta_min      2.94
_cell_volume                     2748.2(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      193
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20720
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.856
_exptl_absorpt_correction_T_max  0.052
_exptl_absorpt_correction_T_min  0.030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.992
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1576.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.240
_refine_diff_density_min         -0.967
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     322
_refine_ls_number_reflns         6097
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0004Fo^2^ + 0.6950\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0696
_reflns_number_gt                5386
_reflns_number_total             6103
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om201218j_si_001.cif
_cod_data_source_block           '_[(Cp*Ir)2(mu-NMs)(PMe3)](6)'
_cod_original_cell_volume        2748.1(10)
_cod_database_code               4068205