Information card for entry 2100676

Structure parameters

• Common name: methylene bromide
• Chemical name: Dibromomethane
• Formula: C H2 Br2
• Calculated formula: C H2 Br2
• SMILES: BrCBr
• Title of publication: Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases
• Authors of publication: Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1090 - 1098
• a: 12.031 ± 0.002 Å
• b: 4.3385 ± 0.0009 Å
• c: 14.795 ± 0.003 Å
• α: 90°
• β: 109.51 ± 0.03°
• γ: 90°
• Cell volume: 727.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1616
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No