Unsymmetrical Dirhenium Complexes That Contain [Re2]6+ and [Re2]5+ Cores Complexed by Tridentate Ligands with P2O and P2N Donor Sets
Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton; Inorganic Chemistry 41 (2002) 405–412; doi:10.1021/ic010983g

data_4317457
_publ_section_title
;
 Unsymmetrical Dirhenium Complexes That Contain [Re2]6+ and [Re2]5+ Cores
 Complexed by Tridentate Ligands with P2O and P2N Donor Sets
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              405
_journal_page_last               412
_journal_paper_doi               10.1021/ic010983g
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C38 H29 Cl4 O3 P2 Re2'
_chemical_formula_weight         1109.81
_chemical_name_systematic        ' ?'
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_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
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_cell_angle_beta                 95.3235(8)
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_cell_length_c                   20.0145(4)
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_cell_measurement_temperature    150
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_cell_measurement_theta_min      5
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_computing_cell_refinement       DENZO/SCALEPACK_(Otwinowski,_1996)
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_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    Direct_methods_(Shelxs97,_Sheldrick,_1997)
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            39933
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_diffrn_reflns_theta_min         5.00
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_exptl_absorpt_correction_T_max  0.4141
_exptl_absorpt_correction_T_min  0.1369
_exptl_absorpt_correction_type   refined_empirical_(Otwinowski_&_Minor,_1996
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_refine_ls_goodness_of_fit_ref   0.949
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_refine_ls_number_reflns         16600
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[\s^2^(Fo^2^)+(0.0352P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3  '
_refine_ls_weighting_scheme      calc
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_reflns_number_total             16600
_reflns_threshold_expression     >2.0\s(I)
_cod_data_source_file            ic010983g_2.cif
_cod_data_source_block           KSM50
_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        3693.0(2)
_cod_database_code               4317457