Information card for entry 8103223

Structure parameters

• Formula: C11 H14 Br2 N2 O
• Calculated formula: C11 H14 Br2 N2 O
• Title of publication: Crystal structure of 1,1'-methylenedipyridinium dibromide monohydrate, (C11H12N2)Br2 • H2O
• Authors of publication: Zhi-Fang Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 553
• a: 19.364 ± 0.003 Å
• b: 16.814 ± 0.002 Å
• c: 8.1486 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2653.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No