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_4323211
_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            'C46 H46 Cl F6 Fe Ni P3 Ru S2'
_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             'Sun May 24 19:16:26 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.05(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   15.546(6)
_cell_length_b                   15.108(8)
_cell_length_c                   20.001(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      24.65
_cell_measurement_theta_min      20.10
_cell_volume                     4686(4)
_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      0.06352
_diffrn_orient_matrix_UB_12      -0.01136
_diffrn_orient_matrix_UB_13      0.00253
_diffrn_orient_matrix_UB_21      -0.01075
_diffrn_orient_matrix_UB_22      -0.06445
_diffrn_orient_matrix_UB_23      0.00716
_diffrn_orient_matrix_UB_31      -0.00292
_diffrn_orient_matrix_UB_32      -0.00991
_diffrn_orient_matrix_UB_33      -0.04954
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.58
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8915
_diffrn_reflns_theta_max         25.0022
_diffrn_standards_decay_%        -0.52
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 13.261
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.782
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2272.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         -0.59230
_refine_diff_density_min         0.74860
_refine_ls_extinction_coef       0.15830
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.450
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         4088
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0470
_refine_ls_shift/esd_max         0.1010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0340
_cod_data_source_file            ic9806129_5.cif
_cod_data_source_block           '[(p-cymene)RuCl(m-S2fc)Ni(dppe)][PF6]'
_cod_original_cell_volume        4685(3)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C46 H46 P3 F6 Cl S2 Ru Fe Ni'
_cod_database_code               4323211