Coupling of Edge-Sharing Bioctahedral Dirhenium(II) Units through the Agency of [N(CN)2]-, [C(CN)3]-, and [Ni(CN)4]2- Linkages
Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton; Inorganic Chemistry 41 (2002) 147–151; doi:10.1021/ic0110070

data_4317413
_publ_contact_author_address
;    Department of Chemistry
      Purdue University
      W. Lafayette
      IN 47907
      USA
;
_publ_contact_author_email       fanwick@.xray.chem.purdue.edu
_publ_contact_author_fax         1(765)4940239
_publ_contact_author_name        'Phillip E. Fanwick'
_publ_contact_author_phone       1(765)4944572
_publ_section_title
;
 Coupling of Edge-Sharing Bioctahedral Dirhenium(II) Units through the
 Agency of [N(CN)2]-, [C(CN)3]-, and [Ni(CN)4]2- Linkages
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              147
_journal_page_last               151
_journal_paper_doi               10.1021/ic0110070
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C118 H100 Cl18 N4 Ni O4 P8 Re4'
_chemical_formula_weight         3327.59
_chemical_name_systematic        ' ?'
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
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_audit_update_record             ' ?'
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_cell_angle_beta                 99.0071(14)
_cell_angle_gamma                90.00
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_cell_length_a                   16.2380(5)
_cell_length_b                   18.4616(5)
_cell_length_c                   20.4851(6)
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_cell_measurement_temperature    150
_cell_measurement_theta_max      23
_cell_measurement_theta_min      5
_cell_volume                     6065.3(3)
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_computing_data_collection       Collect_(Nonius,_1998)
_computing_data_reduction        DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_molecular_graphics
;
     ORTEP (Johnson, 1976)
     PLUTON (Spek, 1991)
;
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
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_diffrn_reflns_limit_l_min       -22
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_exptl_absorpt_correction_T_max  0.7007
_exptl_absorpt_correction_T_min  0.2023
_exptl_absorpt_correction_type   refined_empirical_(Otwinowski_&_Minor,_1996
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'1/[\s^2^(Fo^2^)+(0.0657P)^2^+36.6961P] where P=(Fo^2^+2Fc^2^)/3 '
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                7853
_reflns_number_total             8617
_reflns_threshold_expression     >2.0\s(I)
_cod_data_source_file            ic0110070.cif
_cod_data_source_block           KSM91
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_angle_publ_flag' value 'YES' changed to 'yes'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (153
times).

'_geom_bond_publ_flag' value 'YES' changed to 'yes'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (89 times).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        6065.3(6)
_cod_original_formula_sum        'C118 H100 Cl18 N4 Ni1 O4 P8 Re4'
_cod_database_code               4317413