Synthesis and Structures of One- and Two-Electron Oxidized Forms of Bis(acetylene)tetrairon Clusters Cp'4Fe4(HCCH)2 (Cp' = Cp,η5-C5H4Me)
Masaaki Okazaki; Takeo Ohtani; Masato Takano; Hiroshi Ogino; Inorganic Chemistry 41 (2002) 6726–6730; doi:10.1021/ic025763x

data_4319025
_publ_section_title
;
 Synthesis and Structures of One- and Two-Electron Oxidized Forms of
 Bis(acetylene)tetrairon Clusters Cp'4Fe4(HCCH)2 (Cp' = Cp,\h5-C5H4Me)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6726
_journal_page_last               6730
_journal_paper_doi               10.1021/ic025763x
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C24 H24 B F4 Fe4'
_chemical_formula_weight         622.65
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_audit_creation_date             'Tue Jul 28 22:20:34 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.975(7)
_cell_length_b                   16.442(7)
_cell_length_c                   11.655(7)
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_cell_measurement_temperature    293.2
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_computing_cell_refinement       'MSC/AFC Diffractometer Control'
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_computing_data_reduction        teXsan
_computing_publication_material  teXsan
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_diffrn_measurement_device_type  'Rigaku AFC6S'
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_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.70
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_exptl_crystal_colour            brown
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
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_refine_ls_shift/su_max          1.6200
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_refine_ls_structure_factor_coef F
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_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0855
_refine_ls_wR_factor_ref         0.0855
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_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic025763xsi20020924_063306_1.cif
_cod_data_source_block           '[1a](BF4)'
_cod_depositor_comments
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The following automatic conversions were performed:
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'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

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Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
;
_cod_original_cell_volume        2294(1)
_cod_original_sg_symbol_H-M      'P b c n '
_cod_original_formula_sum        'C24 H24 B F4 Fe4 '
_cod_database_code               4319025