Ethanol Oxidation by Imidorhenium(V) Complexes: Formation of Amidorhenium(III) Complexes
Annette L. Suing; Charlotte R. Dewan; Peter S. White; H. Holden Thorp; Inorganic Chemistry 39 (2000) 6080–6085; doi:10.1021/ic0007299

data_4321699
_publ_section_title
;
 Ethanol Oxidation by Imidorhenium(V) Complexes: Formation of
 Amidorhenium(III) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6080
_journal_page_last               6085
_journal_paper_doi               10.1021/ic0007299
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'Re P6 Cl2 C52 H48 F12 '
_chemical_formula_sum            'C52 H48 Cl2 F12 P6 Re'
_chemical_formula_weight         1343.87
_chemical_name_systematic        ?
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 96.763(1)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
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_cell_length_b                   13.3364(7)
_cell_length_c                   16.9539(9)
_cell_measurement_reflns_used    7346
_cell_measurement_temperature    193
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      1.50
_cell_volume                     2513.7(2)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
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_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           'Molybdenum K\a'
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_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0004F^2^)'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0004F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0004F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2513.69(23)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Re P6 Cl2 C52 H48 F12 '
_cod_database_code               4321699