Information card for entry 7224152

Structure parameters

• Formula: C5 H13 Cl N6 S2
• Calculated formula: C5 H13 Cl N6 S2
• Title of publication: Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride
• Authors of publication: Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 1958
• a: 14.75 ± 0.01 Å
• b: 9.887 ± 0.01 Å
• c: 8.419 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1227.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No