The origin of the electronic transitions of mixed valence polyoxovanadoborates [V12B18O60]. From an experimental and theoretical understanding.
Hermosilla-Ibáñez, Patricio; Wrighton-Araneda, Kerry; Scarpetta-Pizo, Laura; Cañón-Mancisidor, Walter; Gutierrez-Cutiño, Marlen; Le Fur, Eric; Paredes-Garcia, Veronica; Venegas-Yazigi, Diego; New Journal of Chemistry 43 (2019) 17538–17547; doi:10.1039/C9NJ02549A

data_7058623
_publ_section_title
;
 The origin of the electronic transitions of mixed valence
 polyoxovanadoborates [V12B18O60]. From an experimental and theoretical
 understanding.
;
_journal_issue                   45
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17538
_journal_page_last               17547
_journal_paper_doi               10.1039/C9NJ02549A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         K9(V12B18O60H6)19.5H2O
_chemical_formula_sum            'B36 K18 O159 V24'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-05-11 deposited with the CCDC.    2019-07-11 downloaded from the CCDC.
;
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+101.4567P] where P=(Fo^2^+2Fc^2^)/3'
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