Information card for entry 7211801

Structure parameters

• Common name: diethylamine chloroform clathrate (1:1)
• Chemical name: diethylamine chloroform clathrate (1:1)
• Formula: C5 H12 Cl3 N
• Calculated formula: C5 H12 Cl3 N
• SMILES: ClC(Cl)Cl.N(CC)CC
• 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: 7.1434 ± 0.0009 Å
• b: 10.4147 ± 0.0015 Å
• c: 13.2477 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 985.6 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• 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