Adducts of the Lewis acid [B(C6F5)3] with transition metal oxo compounds
Barrado, Georgina; Doerrer, Linda; Green, Malcolm L. H.; Leech, Michael A.; Journal of the Chemical Society, Dalton Transactions  (1999) 1061–; doi:10.1039/a809519a

data_7027206
_publ_contact_author
;
Linda H. Doerrer
Inorganic Chemistry Laboratory
South Parks Road
OXFORD OX1 3QR
;
_publ_section_title
;
 Adducts of the Lewis acid [B(C6F5)3] with transition metal oxo compounds
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1061
_journal_paper_doi               10.1039/a809519a
_journal_year                    1999
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C78 H56 W1 F45 O4 N2 B3 '
_chemical_formula_sum            'C78 H56 B3 F45 N2 O4 W'
_chemical_formula_weight         2156.51
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             97-07-04
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_cell_angle_beta                 92.731(2)
_cell_angle_gamma                90
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_cell_length_b                   21.204(1)
_cell_length_c                   23.912(1)
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_cell_measurement_temperature    100
_cell_measurement_theta_max      26.69
_cell_measurement_theta_min      1.28
_cell_volume                     8182.8(7)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1996)'
_computing_data_collection       'DIP2000 software (Enraf-Nonius)'
_computing_data_reduction
;
DENZO (Otwinowski & Minor, 1996)
;
_computing_molecular_graphics
;
CAMERON (Watkin, Prout & Pearce,  1996)
;
_computing_publication_material
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CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
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_computing_structure_refinement
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CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_ambient_temperature      100
_diffrn_measurement_device       '  Enraf-nonius DIP2020 '
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
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_diffrn_reflns_limit_k_min       -26
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_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            58107
_diffrn_reflns_theta_max         26.69
_diffrn_reflns_theta_min         1.28
_diffrn_standards_decay_%        0.00
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_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            ' colourless '
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_exptl_crystal_description       ' block '
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_refine_ls_structure_factor_coef F
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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
_reflns_number_observed          14377
_reflns_number_total             16848
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            809519asup1.cif
_cod_data_source_block           CRYSTALS_cif
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic ' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct_Methods' was changed to
'direct'.

'_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        8182.78
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_original_formula_sum        ' C78 H56 W1 F45 O4 N2 B3 '
_cod_database_code               7027206