Information card for entry 7216477

Structure parameters

• Common name: methyl bromide
• Chemical name: bromomethane
• Formula: C H3 Br
• Calculated formula: C H3 Br
• 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: 6.236 ± 0.005 Å
• b: 5.017 ± 0.006 Å
• c: 7.394 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 231.3 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 2850000 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: 0.0171
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No