Reactions of the Dirhenium(II) Complexes Re2X4(μ-dppm)2 (X = Cl, Br; dppm = Ph2PCH2PPh2) with Isocyanides. 21.1A Comparison with the Complexes Re2Cl4(μ-dppE)2 and Re2Cl4(μ-dcpm)2 (dppE = Ph2PC(CH2)PPh2; dcpm = Cy2PCH2PCy2) and the Structural Characterization of Complexes of the Types Re2Cl4(μ-LL)2(CNR), Re2Cl4(μ-LL)2(CNR)2, and [Re2Cl3(μ-LL)2(CNR)3]+ (LL = dppm, dppE, dcpm; R =t-Bu, Xyl)
Yan Ding; Shan-Ming Kuang; Michael J. Siwajek; Phillip E. Fanwick; Richard A. Walton; Inorganic Chemistry 39 (2000) 2676–2683; doi:10.1021/ic000064a

data_4321005
_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        'Richard A. Walton'
_publ_contact_author_phone       1(765)4945464
_publ_section_title
;
 Reactions of the Dirhenium(II) Complexes Re2X4(\m-dppm)2 (X = Cl, Br;
 dppm = Ph2PCH2PPh2) with Isocyanides. 21.1A Comparison with the Complexes
 Re2Cl4(\m-dppE)2 and Re2Cl4(\m-dcpm)2 (dppE = Ph2PC(CH2)PPh2; dcpm =
 Cy2PCH2PCy2) and the Structural Characterization of Complexes of the
 Types Re2Cl4(\m-LL)2(CNR), Re2Cl4(\m-LL)2(CNR)2, and
 [Re2Cl3(\m-LL)2(CNR)3]+ (LL = dppm, dppE, dcpm; R =t-Bu, Xyl)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2676
_journal_page_last               2683
_journal_paper_doi               10.1021/ic000064a
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C62 H102 Cl4 N O P4 Re2'
_chemical_formula_weight         1515.62
_chemical_name_systematic        ' ?'
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
_audit_creation_date             4-29-99
_audit_creation_method           from_MolEN_and_SHELXL_and_WinGX
_audit_update_record             ' ?'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.0421(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.2164(5)
_cell_length_b                   12.4916(3)
_cell_length_c                   25.3930(5)
_cell_measurement_reflns_used    61215
_cell_measurement_temperature    293
_cell_measurement_theta_max      30
_cell_measurement_theta_min      4
_cell_volume                     7077.5(3)
_computing_cell_refinement       DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_data_collection       Collect_(Nonius,_1998)
_computing_data_reduction        DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_molecular_graphics    Ortep-3_for_Windows_(Farrugia,_1997)
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
_computing_structure_refinement  SHELX97_(Sheldrick,_1997)
_computing_structure_solution    PATTY_(DIRDIF92,_Beurskins,_1992)
_diffrn_ambient_temperature      293
_diffrn_radiation_type           MO-K\a
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_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            61215
_diffrn_reflns_theta_max         30.50
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_exptl_absorpt_coefficient_mu    3.741
_exptl_absorpt_correction_T_max  0.6879
_exptl_absorpt_correction_T_min  0.3581
_exptl_absorpt_correction_type   refined_empirical_(Otwinowski_&_Minor,_1996)
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.42
_exptl_crystal_description       plate
_exptl_crystal_F_000             3068
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     670
_refine_ls_number_reflns         21124
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_refine_ls_shift/su_max          0.039
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0602P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.117
_reflns_number_gt                12349
_reflns_number_total             21124
_reflns_threshold_expression     >2.0\s(I)
_cod_data_source_file            ic000064a_4.cif
_cod_data_source_block           MJS764
_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        7077.5(5)
_cod_database_code               4321005