Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.
Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo; Physical chemistry chemical physics : PCCP 20 (2018) 24192–24200; doi:10.1039/c8cp04401e

data_7231476
_publ_section_title
;
 Boron triel bonding: a weak electrostatic interaction lacking
 electron-density descriptors.
;
_journal_issue                   37
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              24192
_journal_page_last               24200
_journal_paper_doi               10.1039/c8cp04401e
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C14 H14 N2 O8'
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;
2018-06-05 deposited with the CCDC.
2018-08-30 downloaded from the CCDC.
;
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;
 Fullsphere data collection, phi and omega scans
;
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;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_mid          0.200
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;
 Flack x determined using 6452 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.09(11)
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0497P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_Friedel_fraction_max     0.914
_reflns_number_gt                16371
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cp04401e2.cif
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_cod_depositor_comments
'Adding full bibliography for 7231471--7231476.cif.'
_cod_database_code               7231476
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.967
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