Mimicking oxide surfaces: different types of defects and ligand coordination at well defined positions of a molybdenum oxide based nanocluster
Müller, Achim; Maiti, Rabindranath; Schmidtmann, Marc; Bögge, Hartmut; Das, Samar K.; Zhang, Wenjian; Chemical Communications  (2001) 2126–; doi:10.1039/b106092a

data_7114853
_publ_section_title
;
 Mimicking oxide surfaces: different types of defects and ligand
 coordination at well defined positions of a molybdenum oxide based
 nanocluster
;
_journal_issue                   20
_journal_name_full               'Chemical Communications'
_journal_page_first              2126
_journal_paper_doi               10.1039/b106092a
_journal_year                    2001
_chemical_formula_sum            'C12 H768 Mo138 N32 O736'
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_chemical_name_systematic
; 
? 
;
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_cell_measurement_reflns_used    8006
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_computing_data_reduction        'Bruker AXS SAINT'
_computing_molecular_graphics
'Crystal Impact: DIAMOND; Bruker AXS: SHELXTL'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
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_diffrn_ambient_temperature      183(2)
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'w=1/[s^2^(Fo^2^)+( 0.0850P)^2^+700.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1870
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_reflns_number_observed          24378
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_cod_data_source_file            b106092a.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w=1/[s^2^(Fo^2^)+(
0.0850P)^2^+700.0000P] where P=(Fo^2^+2Fc^2^)/3' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w=1/[s^2^(Fo^2^)+( 0.0850P)^2^+700.0000P]
where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        40947.3(24)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7114853