Information card for entry 7106716

Structure parameters

• Common name: 1,1,2,2-Tetrachloroethane
• Chemical name: 1,1,2,2-Tetrachloroethane
• Formula: C2 H2 Cl4
• Calculated formula: C2 H2 Cl4
• SMILES: ClC(Cl)C(Cl)Cl
• Title of publication: Conformational Polymorphs of 1,1,2,2-Tetrachloroethane: Pressure vs.Temperature
• Authors of publication: Maciej Bujak; Dieter Blaser; Andrzej Katrusiak; Roland Boese
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8769
• a: 8.8687 ± 0.0019 Å
• b: 10.501 ± 0.002 Å
• c: 12.835 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1195.3 ± 0.4 ų
• Cell temperature: 215 ± 2 K
• Ambient diffraction temperature: 215 ± 1 K
• Cell measurement pressure: 100 kPa
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No