Information card for entry 7211802

Structure parameters

• Common name: trichloromethane
• Chemical name: trichloromethane
• Formula: C H Cl3
• Calculated formula: C H Cl3
• SMILES: C(Cl)(Cl)Cl
• Title of publication: Low-melting molecular complexes of chloroform
• Authors of publication: Yufit, D. S.; Howard, J. A. K.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 737
• a: 7.4422 ± 0.0006 Å
• b: 9.4578 ± 0.0007 Å
• c: 5.8025 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 408.42 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No