Information card for entry 2017290

Structure parameters

• Chemical name: bis(imidazolium) 2,2'-dithiodibenzoate
• Formula: C20 H18 N4 O4 S2
• Calculated formula: C20 H18 N4 O4 S2
• SMILES: c1(c(cccc1)SSc1c(cccc1)C(=O)[O-])C(=O)[O-].[nH]1cc[nH+]c1.[nH]1c[nH+]cc1
• Title of publication: Three-dimensional networks in bis(imidazolium) 2,2'-dithiodibenzoate and 4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate
• Authors of publication: Wei, Linheng; Wang, Ziliang; Meng, Xianggao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o453 - o456
• a: 17.0142 ± 0.0013 Å
• b: 5.9064 ± 0.0004 Å
• c: 19.9254 ± 0.0015 Å
• α: 90°
• β: 94.228 ± 0.001°
• γ: 90°
• Cell volume: 1996.9 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes