Information card for entry 7212022

Structure parameters

• Common name: 1,1,1,2-tetrachloroethane
• Chemical name: 1,1,1,2-tetrachloroethane
• Formula: C2 H2 Cl4
• Calculated formula: C2 H2 Cl4
• Title of publication: Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane
• Authors of publication: Bujak, Maciej; Katrusiak, Andrzej
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1263
• a: 22.276 ± 0.0008 Å
• b: 5.59764 ± 0.00017 Å
• c: 10.3599 ± 0.0004 Å
• α: 90°
• β: 109.912 ± 0.004°
• γ: 90°
• Cell volume: 1214.58 ± 0.08 ų
• Cell temperature: 195 ± 0.1 K
• Ambient diffraction temperature: 195 ± 0.1 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 3
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No