Information card for entry 7106717

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: C(C(Cl)Cl)(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: 6.1941 ± 0.0009 Å
• b: 6.186 ± 0.002 Å
• c: 7.361 ± 0.003 Å
• α: 90°
• β: 104.9 ± 0.02°
• γ: 90°
• Cell volume: 272.57 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Cell measurement pressure: 650000 kPa
• Ambient diffracton pressure: 650000 kPa
• Number of distinct elements: 3
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No