Information card for entry 7207486

Structure parameters

• Common name: chloroform methylethylketone co-crystal
• Chemical name: trichloromethane butanone-2 clathrate (2:1)
• Formula: C6 H10 Cl6 O
• Calculated formula: C6 H10 Cl6 O
• Title of publication: Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane
• Authors of publication: Yufit, D. S.; Howard, J. A. K.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2003
• a: 6.054 ± 0.002 Å
• b: 6.965 ± 0.003 Å
• c: 16.346 ± 0.006 Å
• α: 90°
• β: 95.86 ± 0.03°
• γ: 90°
• Cell volume: 685.6 ± 0.5 ų
• Cell temperature: 165 ± 0.2 K
• Ambient diffraction temperature: 165 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• 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: Yes
• Has Fobs: No