Information card for entry 7211800

Structure parameters

• Common name: dimethylformamide chloroform clathrate (1:1)
• Chemical name: dimethylformamide chloroform clathrate (1:1)
• Formula: C4 H8 Cl3 N O
• Calculated formula: C4 H8 Cl3 N O
• SMILES: ClC(Cl)Cl.N(C=O)(C)C
• 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: 8.284 ± 0.0007 Å
• b: 8.67 ± 0.0009 Å
• c: 12.829 ± 0.0015 Å
• α: 90°
• β: 107.1 ± 0.03°
• γ: 90°
• Cell volume: 880.7 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No