Synthesis of Heterobimetallic Fe-M (M = Ni, Pd, Pt) Complexes Containing the 1,1'-Ferrocenedithiolato Ligand and Their Conversion to Trinuclear Complexes
Shin Takemoto; Shigeki Kuwata; Yoshiaki Nishibayashi; Masanobu Hidai; Inorganic Chemistry 37 (1998) 6428–6434; doi:10.1021/ic9806129

data_4323210
_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_email       ' hidai@chembio.t.u-tokyo.ac.jp '
_publ_contact_author_fax         ' 81-3-5800-6945 '
_publ_contact_author_phone       ' 81-3-5800-6945 '
_publ_section_title
;
 Synthesis of Heterobimetallic Fe-M (M = Ni, Pd, Pt) Complexes Containing
 the 1,1'-Ferrocenedithiolato Ligand and Their Conversion to Trinuclear
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6428
_journal_page_last               6434
_journal_paper_doi               10.1021/ic9806129
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C66 H64 F12 Fe Ni2 O P6 S2'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Sun May 24 19:15:53 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 95.24(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   14.994(6)
_cell_length_b                   28.130(9)
_cell_length_c                   15.667(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      33.36
_cell_measurement_theta_min      22.51
_cell_volume                     6580(5)
_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)'
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.00050
_diffrn_orient_matrix_UB_12      0.02731
_diffrn_orient_matrix_UB_13      -0.04082
_diffrn_orient_matrix_UB_21      0.00483
_diffrn_orient_matrix_UB_22      0.02268
_diffrn_orient_matrix_UB_23      0.04935
_diffrn_orient_matrix_UB_31      0.06680
_diffrn_orient_matrix_UB_32      -0.00185
_diffrn_orient_matrix_UB_33      0.00261
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  6.39
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12536
_diffrn_reflns_theta_max         27.4695
_diffrn_standards_decay_%        -8.64
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 10.698
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.937
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3120.00
_exptl_crystal_size_max          0.900
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         -0.59550
_refine_diff_density_min         0.78120
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.390
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         4308
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0780
_refine_ls_shift/esd_max         8.6650
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0600
_cod_data_source_file            ic9806129_4.cif
_cod_data_source_block           '[{Ni(dppe)}2(m-S2fc)][PF6]2'
_cod_original_cell_volume        6580(4)
_cod_original_sg_symbol_H-M      'P 21/a '
_cod_original_formula_sum        'C66 H64 P6 F12 S2 O Fe Ni2'
_cod_database_code               4323210