Information card for entry 2240168

Structure parameters

• Chemical name: 1,3-Dicyclohexyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-carbodithioate chloroform monosolvate
• Formula: C19 H29 Cl3 N2 S2
• Calculated formula: C19 H29 Cl3 N2 S2
• Title of publication: Crystal structure of 1,3-dicyclohexyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-carbodithioate chloroform monosolvate
• Authors of publication: Mallah, Eyad; Sweidan, Kamal; Abu Dayyih, Wael; Steimann, Manfred; Sunjuk, Mahmoud
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1227 - o1228
• a: 8.48 ± 0.0017 Å
• b: 16.227 ± 0.003 Å
• c: 17.263 ± 0.004 Å
• α: 90°
• β: 98.78 ± 0.03°
• γ: 90°
• Cell volume: 2347.6 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes