Tuning of the optical properties and Lewis acidity of dibenzopnictogenaborins by modification on bridging main group elements.
Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki; Inorganic chemistry 45 (2006) 9137–9144; doi:10.1021/ic061055q

data_4350513
_publ_section_title
;
 Tuning of the optical properties and Lewis acidity of
 dibenzopnictogenaborins by modification on bridging main group elements.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9137
_journal_page_last               9144
_journal_paper_doi               10.1021/ic061055q
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C24 H26 B N'
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_cell_angle_gamma                90.0000(16)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
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_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0646P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1508
_reflns_number_gt                4500
_reflns_number_total             8712
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061055qsi20060613_040216.cif
_cod_data_source_block           bnmono
_cod_depositor_comments
;
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/ACS/depositions/lib/lists/replacement-tags.lst'.

Automatic conversion script
Id: cif_correct_tags 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3879.6(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4350513