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_4323207
_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            'C18 H19 Fe Ni P S2'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Sun May 24 19:13:24 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.09(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   5.985(3)
_cell_length_b                   12.476(3)
_cell_length_c                   11.876(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      39.66
_cell_measurement_theta_min      36.81
_cell_volume                     884.5(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    SIR92
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.00218
_diffrn_orient_matrix_UB_12      -0.05893
_diffrn_orient_matrix_UB_13      -0.05714
_diffrn_orient_matrix_UB_21      0.00262
_diffrn_orient_matrix_UB_22      -0.05433
_diffrn_orient_matrix_UB_23      0.06199
_diffrn_orient_matrix_UB_31      -0.16749
_diffrn_orient_matrix_UB_32      -0.00008
_diffrn_orient_matrix_UB_33      -0.00431
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  1.95
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -2
_diffrn_reflns_number            2329
_diffrn_reflns_theta_max         27.5147
_diffrn_standards_decay_%        -0.34
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 22.047
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.570
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             456.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.100
_refine_diff_density_max         -0.26230
_refine_diff_density_min         0.32120
_refine_ls_extinction_coef       38.19168
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.850
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         1707
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0300
_refine_ls_shift/esd_max         0.0040
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0210
_cod_data_source_file            ic9806129_1.cif
_cod_data_source_block           '[Ni(S2fc)(PMe2Ph)](1)'
_cod_original_cell_volume        884.5(6)
_cod_original_sg_symbol_H-M      'P 21 '
_cod_original_formula_sum        'C18 H19 P S2 Fe Ni'
_cod_database_code               4323207