Information card for entry 1504395

Structure parameters

• Common name: chloroform
• Chemical name: trichloromethane
• Formula: C H Cl3
• Calculated formula: C H Cl3
• Title of publication: Polar symmetry in new high-pressure phases of chloroform and bromoform.
• Authors of publication: Dziubek, Kamil F.; Katrusiak, Andrzej
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 38
• Pages of publication: 12001 - 12009
• a: 5.8868 ± 0.0016 Å
• b: 5.8868 ± 0.0016 Å
• c: 6.6541 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 199.7 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No