Stepwise Reduction of Four Carbonyl Ligands in (η5-C5H4Me)4Fe4(μ3-CO)4To Produce Clusters Containing μ3-Methylidyne and/or Acetylene Ligands
Okazaki, Masaaki; Ohtani, Takeo; Takano, Masato; Ogino, Hiroshi; Organometallics 23 (2004) 4055–; doi:10.1021/om049606c

data_4083992
_publ_section_title
;
 Stepwise Reduction of Four Carbonyl Ligands in
 (\h5-C5H4Me)4Fe4(\m3-CO)4To Produce Clusters Containing \m3-Methylidyne
 and/or Acetylene Ligands
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4055
_journal_paper_doi               10.1021/om049606c
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C28 H30 Fe4 O2'
_chemical_formula_weight         621.93
_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'
_cell_angle_alpha                90
_cell_angle_beta                 98.174(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.353(1)
_cell_length_b                   15.634(1)
_cell_length_c                   32.792(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      17.3
_cell_volume                     4746.3(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
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_diffrn_measured_fraction_theta_full 0.9984
_diffrn_measured_fraction_theta_max 0.9984
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
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_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.97
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.419
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.896
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.51
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.821
_refine_ls_hydrogen_treatment    noref
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_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.0103
_refine_ls_structure_factor_coef F
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_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om049606csi20040602_031443.cif
_cod_data_source_block           okazaki11
_cod_original_cell_volume        4746.0(8)
_cod_original_formula_sum        'C56 H60 Fe8 O4 '
_cod_database_code               4083992