Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.
Steinke, Tim; Engelage, Elric; Huber, Stefan M.; Acta crystallographica. Section C, Structural chemistry 79 (2023) 26–35; doi:10.1107/S2053229622011536

data_2312673
_publ_section_title
;
 Chalcogen bonding in the solid-state structures of
 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.
;
_journal_coeditor_code           QW3003
_journal_issue                   'Pt 2'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              26
_journal_page_last               35
_journal_paper_doi               10.1107/S2053229622011536
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          'C24 H24 N4 S2 2+, 2C F3 O3 S -'
_chemical_formula_moiety         'C24 H24 N4 S2 2+, 2(C F3 O3 S -)'
_chemical_formula_sum            'C26 H24 F6 N4 O6 S4'
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_chemical_name_systematic
'3,3'-Bis(methylsulfanyl)-1,1'-(1,3-phenylene)bis(1<i>H</i>-1,3-benzodiazol-3-ium) bis(trifluoromethanesulfonate)'
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;
CrysAlis PRO (Rigaku OD, 2018)
;
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;
CrysAlis PRO (Rigaku OD, 2018)
;
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CrysAlis PRO (Rigaku OD, 2018)
;
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;
DIAMOND (Putz & Brandenburg, 2014) and Mercury (Macrae <i>et al.</i>,
2020)
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WinGX (Farrugia, 2012)
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SHELXL2018 (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a) and shelXle (H\"ubschle <i>et al.</i>,
2011)
;
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'Rigaku XtaLAB Synergy Dualflex diffractometer with a HyPix detector'
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;
(CrysAlis PRO; Rigaku OD, 2018)
;
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'w=1/[\s^2^(Fo^2^)+(0.0868P)^2^+6.2578P] where P=(Fo^2^+2Fc^2^)/3'
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