Multiple Bonds Between Main Group Elements and Transition Metals. 151.1 Trioxorhenium(VII) Alkoxide Complexes
Wolfgang A. Herrmann; William A. Wojtczak; Georg R. J. Artus; Fritz E. Kühn; Mike R. Mattner; Inorganic Chemistry 36 (1997) 465–471; doi:10.1021/ic951508j

data_4323294
_publ_contact_author
;                                                                               
       Georg Artus                                                     
       Anorganisch-chemisches Institut der                                      
       Technischen Universit\"at M\"unchen                                      
       Lichtenbergstrasse 4                                                     
       D-85747 Garching                                                         
;
_publ_contact_author_email       'artus@zaphod.anorg.chemie.tu-muenchen.de '
_publ_contact_author_fax         ' 089 3209 3473 '
_publ_contact_author_phone       ' 089 3209 3143 '
_publ_section_title
;
 Multiple Bonds Between Main Group Elements and Transition Metals. 151.1
 Trioxorhenium(VII) Alkoxide Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              465
_journal_page_last               471
_journal_paper_doi               10.1021/ic951508j
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C7 H15 O5 Re'
_chemical_formula_weight         365.40
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_audit_creation_date             96-06-05
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            8.00
_cell_length_a                   8.263
_cell_length_b                   10.884
_cell_length_c                   22.963
_cell_measurement_reflns_used    25
_cell_measurement_temperature    193(4)
_cell_measurement_theta_max      18.4
_cell_measurement_theta_min      15.3
_cell_volume                     2065.166
_computing_cell_refinement       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_reduction
'CRYSTALS (Watkin, Carruthers & Betteridge, 1985) ; SDP (Enraf-Nonius, 1988) '
_computing_molecular_graphics    'PLATON (Spek, 1995) '
_computing_publication_material  'CRYSTALS '
_computing_structure_refinement  'CRYSTALS '
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      193(4)
_diffrn_measurement_device       '  Enraf-nonius CAD4 '
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.05
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            4221
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.00
_diffrn_standards_decay_%        14.6
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.76
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_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            ' none '
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;
 H atoms placed geometrically after each cycle
;
_refine_ls_matrix_type           full
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;
 Chebychev polynomial (Carruthers & Watkin, 1979)
;
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_reflns_limit_k_min              0
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_reflns_limit_l_min              0
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_cod_data_source_file            ic951508j_2.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'orthorhombic ' changed to
'orthorhombic' 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 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'Geometric' was changed to
'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        2065.2
_cod_original_sg_symbol_H-M      'P b c a '
_cod_original_formula_sum        ' C7 H15 Re1 O5 '
_cod_database_code               4323294