Involvement of Multiply Bonded Dirhenium Complexes in Mixed-Metal Assemblies. Isolation and Characterization of a New Type of Re4Pd2 Cluster
Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton; Inorganic Chemistry 39 (2000) 2968–2969; doi:10.1021/ic000250g

data_4321121
_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
;
 Involvement of Multiply Bonded Dirhenium Complexes in Mixed-Metal
 Assemblies. Isolation and Characterization of a New Type of Re4Pd2
 Cluster
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2968
_journal_page_last               2969
_journal_paper_doi               10.1021/ic000250g
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C172 H148 Cl8 N4 O4 P8 Pd2 Re4 S4'
_chemical_formula_weight         3952.39
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source
'International Tables for Crystallography (Vol C) '
_audit_creation_date             12-10-99
_audit_creation_method           from_MolEN_and_SHELXL
_audit_update_record             ' ?'
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_cell_angle_gamma                90.00
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_cell_length_c                   20.1559(6)
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_cell_measurement_theta_min      4
_cell_volume                     7914.1(4)
_computing_cell_refinement       DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_data_collection       Collect_(Nonius,_1998)
_computing_data_reduction        DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_molecular_graphics
;
    ORTEP (Johnson, 1976)
    Xtal_GX (Hall, 1995)
    PLUTON (Spek, 1991)
;
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
_computing_structure_refinement  SHELX97_(Sheldrick,_1997)
_computing_structure_solution    PATTY_(DIRDIF92,_Beurskins,_1992)
_diffrn_ambient_temperature      193
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_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_theta_min         4.00
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_exptl_absorpt_correction_T_max  0.5801
_exptl_absorpt_correction_T_min  0.3623
_exptl_absorpt_correction_type   refined_empirical_(Otwinowski_&_Minor,_1996
_exptl_crystal_colour            orange
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_exptl_crystal_description       chunk
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0302P)^2^+79.2026P] where P=(Fo^2^+2Fc^2^)/'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.116
_reflns_number_gt                12294
_reflns_number_total             15474
_reflns_threshold_expression     >2.0\s(I)
_cod_data_source_file            ic000250g.cif
_cod_data_source_block           Compound1
_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.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        7914.1(7)
_cod_database_code               4321121