Metal-Metal Bonding in Pentanuclear Bow-Tie Metal Sulfido Clusters. Synthetic and Structural Studies on the Cationic Pentanuclear Clusters [(Cp*Ir)2(μ3-S)2M(μ3-S)2(IrCp*)2]n+ (M = Fe, Co, Ni; n = 1, 2)
Zhen Tang; Yasuo Nomura; Shigeki Kuwata; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai; Inorganic Chemistry 37 (1998) 4909–4920; doi:10.1021/ic9806885

data_4323035
_publ_contact_author
;
    Masanobu Hidai
 Department of Chemistry and Biotechnology, Graduate School of Engineering,
The University of Tokyo, Hongo, Bunkyo-Ku, Tokyo 113-8656, Japan
;
_publ_contact_author_fax         ' +81-3-5800-6945 '
_publ_contact_author_phone       ' +81-3-3812-2111 ext 7261 '
_publ_section_title
;
 Metal-Metal Bonding in Pentanuclear Bow-Tie Metal Sulfido Clusters.
 Synthetic and Structural Studies on the Cationic Pentanuclear Clusters
 [(Cp*Ir)2(\m3-S)2M(\m3-S)2(IrCp*)2]n+ (M = Fe, Co, Ni; n = 1, 2)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4909
_journal_page_last               4920
_journal_paper_doi               10.1021/ic9806885
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C64 H80 B Fe Ir4 S4'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Mon Jan 27 18:58:58 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 116.84(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   19.649(4)
_cell_length_b                   17.601(3)
_cell_length_c                   20.321(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      33.40
_cell_measurement_theta_min      28.48
_cell_volume                     6271(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.03030
_diffrn_orient_matrix_UB_12      -0.04704
_diffrn_orient_matrix_UB_13      0.00439
_diffrn_orient_matrix_UB_21      0.04574
_diffrn_orient_matrix_UB_22      0.03181
_diffrn_orient_matrix_UB_23      0.00970
_diffrn_orient_matrix_UB_31      0.01559
_diffrn_orient_matrix_UB_32      -0.00188
_diffrn_orient_matrix_UB_33      0.05411
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.28
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       2
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       2
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11779
_diffrn_reflns_theta_max         24.9982
_diffrn_reflns_theta_min         2.525
_diffrn_standards_decay_%        -0.17
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 88.780
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.284
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            darkbrown
_exptl_crystal_density_diffrn    1.920
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3468.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.250
_refine_diff_density_max         -1.41350
_refine_diff_density_min         2.60990
_refine_ls_extinction_coef       0.80054
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.610
_refine_ls_matrix_type           full
_refine_ls_number_parameters     668
_refine_ls_number_reflns         7362
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0440
_refine_ls_shift/esd_max         0.4750
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0350
_cod_data_source_file            ic9806885_6.cif
_cod_data_source_block
'[(Cp*Ir)2(S)2Fe(S)2(IrCp*)2][BPh4](compound8[BPh4])'
_cod_original_cell_volume        6271(1)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C64 H80 Ir4 S4 Fe B'
_cod_database_code               4323035