Monocarbollide complexes of molybdenum and tungsten: functionalization through reactions at a cage boron centre ‡
Du, Shaowu; Franken, Andreas; Jelliss†, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin; Journal of the Chemical Society, Dalton Transactions  (2001) 1846–; doi:10.1039/b101003o

data_7702552
_publ_section_title
;
 Monocarbollide complexes of molybdenum and tungsten: functionalization
 through reactions at a cage boron centre&#x200A;&#x2021;
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1846
_journal_paper_doi               10.1039/b101003o
_journal_year                    2001
_chemical_formula_sum            'C48 H50 B10 O4 P2 W'
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
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_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.390
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0363P)^2^+1.6716P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0656
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_reflns_number_gt                5583
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b101003o.txt
_cod_data_source_block           28
_cod_depositor_comments
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The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file
'/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/lists/replacement-tags.lst'.

Automatic conversion script
Id: cif_correct_tags 6909 2019-04-08 15:41:33Z antanas 

The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        2495.4(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7702552