Interaction of Ferrocene Moieties Across a Square Pt4 Unit: Synthesis, Characterization, and Electrochemical Properties of Carboxylate-Bridged Bimetallic Pt4Fen (n= 2, 3, and 4) Complexes
Shinji Tanaka; Kazushi Mashima; Inorganic Chemistry 50 (2011) 11384–11393; doi:10.1021/ic201012m

data_4326839
_publ_contact_author_address
;
Department of Chemistry
Graduate School of Engineering Science
Osaka University
;
_publ_contact_author_email       mashima@chem.es.osaka-u.ac.jp
_publ_contact_author_fax         +81-(0)6-6850-6249
_publ_contact_author_name        'Kazushi Mashima'
_publ_contact_author_phone       +81-(0)6-6850-6247
_publ_section_title
;
 Interaction of Ferrocene Moieties Across a Square Pt4 Unit: Synthesis,
 Characterization, and Electrochemical Properties of Carboxylate-Bridged
 Bimetallic Pt4Fen (n= 2, 3, and 4) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11384
_journal_page_last               11393
_journal_paper_doi               10.1021/ic201012m
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C55.50 H52 Fe4 O16 Pt4'
_chemical_formula_sum            'C55.5 H52 Fe4 O16 Pt4'
_chemical_formula_weight         1978.76
_space_group_IT_number           89
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      89
_symmetry_space_group_name_Hall  'P 4 2'
_symmetry_space_group_name_H-M   'P 4 2 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   16.2503(9)
_cell_length_b                   16.2503(9)
_cell_length_c                   13.3184(7)
_cell_measurement_reflns_used    38879
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      3.06
_cell_volume                     3517.0(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1341
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            39145
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.745
_exptl_absorpt_correction_T_max  0.916
_exptl_absorpt_correction_T_min  0.516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku, ????)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.868
_exptl_crystal_description       block
_exptl_crystal_F_000             1858.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.900
_refine_diff_density_min         -4.800
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  1686 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.97(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     144
_refine_ls_number_reflns         4024
_refine_ls_number_restraints     2
_refine_ls_R_factor_gt           0.0925
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0529P)^2^+160.6930P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1861
_reflns_number_gt                3493
_reflns_number_total             4024
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic201012m_si_002_2.cif
_cod_data_source_block           complex6
_cod_original_cell_volume        3517.0(4)
_cod_original_formula_sum        'C55.50 H52 Fe4 O16 Pt4'
_cod_database_code               4326839