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_4323036
_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 Co 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  6 18:51:42 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 117.17(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   19.792(5)
_cell_length_b                   17.522(5)
_cell_length_c                   20.473(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      39.43
_cell_measurement_theta_min      33.87
_cell_volume                     6317(3)
_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      -0.05020
_diffrn_orient_matrix_UB_12      0.02639
_diffrn_orient_matrix_UB_13      -0.02575
_diffrn_orient_matrix_UB_21      0.02658
_diffrn_orient_matrix_UB_22      0.04946
_diffrn_orient_matrix_UB_23      0.00337
_diffrn_orient_matrix_UB_31      -0.00080
_diffrn_orient_matrix_UB_32      -0.01061
_diffrn_orient_matrix_UB_33      -0.04830
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  3.52
_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       1
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11867
_diffrn_reflns_theta_max         25.0005
_diffrn_reflns_theta_min         2.52
_diffrn_standards_decay_%        -4.83
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 88.468
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.341
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            darkgreen
_exptl_crystal_density_diffrn    1.910
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3472.00
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.200
_refine_diff_density_max         -0.88280
_refine_diff_density_min         1.16780
_refine_ls_extinction_coef       0.35881
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.320
_refine_ls_matrix_type           full
_refine_ls_number_parameters     668
_refine_ls_number_reflns         7157
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0360
_refine_ls_shift/esd_max         0.0630
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0260
_cod_data_source_file            ic9806885_7.cif
_cod_data_source_block
'[(Cp*Ir)2(S)2Co(S)2(IrCp*)2][BPh4](compound9[BPh4])'
_cod_original_cell_volume        6316(3)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C64 H80 Ir4 S4 Co B'
_cod_database_code               4323036