Reactions of the Eight-Coordinate Rhenium Complex ReH4(hq)(PPh3)2 (hq = 2-Hydroxyquinoline Monoanion) with Monodentate Tertiary Phosphines: Formation of Pentagonal Bipyramidal Dihydridorhenium(III) Complexes of the Type ReH2(hq)(PPh3)2(PR3)
Talia M. McKinney; Phillip E. Fanwick; Richard A. Walton; Inorganic Chemistry 38 (1999) 1548–1554; doi:10.1021/ic981155z

data_4321883
_publ_contact_author
;
     Richard A. Walton
     Department of Chemistry
     Purdue University
     1393 Brown Building
     W. Lafayette
     IN 47907
     USA
;
_publ_contact_author_email       walton@chem.purdue.edu
_publ_contact_author_fax         '(765) 494 0239'
_publ_contact_author_phone       '(765) 494 5464'
_publ_section_title
;
 Reactions of the Eight-Coordinate Rhenium Complex ReH4(hq)(PPh3)2 (hq =
 2-Hydroxyquinoline Monoanion) with Monodentate Tertiary Phosphines:
 Formation of Pentagonal Bipyramidal Dihydridorhenium(III) Complexes of
 the Type ReH2(hq)(PPh3)2(PR3)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1548
_journal_page_last               1554
_journal_paper_doi               10.1021/ic981155z
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C52 H55 N O2 P3 Re'
_chemical_formula_weight         1005.15
_chemical_name_systematic        ' ?'
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_atom_type_scat_source           International_Tables_for_Xray_Crystallography
_cell_angle_alpha                93.196(16)
_cell_angle_beta                 93.898(15)
_cell_angle_gamma                96.215(16)
_cell_formula_units_Z            2
_cell_length_a                   12.240(2)
_cell_length_b                   12.411(3)
_cell_length_c                   15.196(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      45
_cell_measurement_theta_min      23
_cell_volume                     2284.9(8)
_computing_cell_refinement       CAD4_(Enraf-Nonius,_1977)
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_computing_data_reduction        PROCESS_MolEN_(Fair,_1990)
_computing_molecular_graphics    ORTEP_(Johnson,_1976)
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
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_diffrn_standards_interval_time  83
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_exptl_absorpt_coefficient_mu    6.320
_exptl_absorpt_correction_T_max  0.6844
_exptl_absorpt_correction_T_min  0.3627
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            colorless
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/ (\s^2^(Fo^2^) + 0.0016 Fo^4^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.049
_reflns_number_observed          5679
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_reflns_observed_criterion       >3.0\s(I)
_cod_data_source_file            ic981155z_2.cif
_cod_data_source_block           Compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/ (\s^2^(Fo^2^) + 0.0016
Fo^4^)' was changed to 'calc'. New tag '_refine_ls_weighting_details'
was created. The value of the new tag was set to 'w = 4Fo^2^/
(\s^2^(Fo^2^) + 0.0016 Fo^4^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2284.9(14)
_cod_original_formula_sum        'C52 H55 N1 O2 P3 Re1'
_cod_database_code               4321883