Information card for entry 7216473

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: 4.372 ± 0.005 Å
• b: 6.375 ± 0.005 Å
• c: 9.196 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 256.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 1110000 kPa
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No