Information card for entry 2102966

Structure parameters

• Common name: bromochloromethane
• Chemical name: bromochloromethane
• Formula: C H2 Br Cl
• Calculated formula: C H2 Br Cl
• Title of publication: Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl
• Authors of publication: Podsiadło, Marcin; Katrusiak, Andrzej
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: 903 - 911
• a: 4.1126 ± 0.0008 Å
• b: 8.0685 ± 0.0016 Å
• c: 9.755 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 323.7 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes