Information card for entry 7216472

Structure parameters

• Common name: methyl chloride
• Chemical name: chloromethane
• Formula: C H3 Cl
• Calculated formula: C H3 Cl
• Title of publication: Halogen∙∙∙halogen contra C−H∙∙∙halogen
• Authors of publication: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej
• Journal of publication: CrystEngComm
• Year of publication: 2014
• a: 5.967 ± 0.015 Å
• b: 4.708 ± 0.004 Å
• c: 6.984 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 196.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 4380000 kPa
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No