Information card for entry 2005303

Structure parameters

• Chemical name: 4,4'-Selenobispyridine
• Formula: C10 H8 N2 Se
• Calculated formula: C10 H8 N2 Se
• SMILES: [Se](c1ccncc1)c1ccncc1
• Title of publication: 4,4'-Oxybispyridine and 4,4'-Selenobispyridine
• Authors of publication: Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2040 - 2042
• a: 8.609 ± 0.002 Å
• b: 5.769 ± 0.002 Å
• c: 10.478 ± 0.003 Å
• α: 72.81 ± 0.04°
• β: 70.12 ± 0.02°
• γ: 80.92 ± 0.03°
• Cell volume: 466.6 ± 0.3 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.094
• Goodness-of-fit parameter for all reflections: 1.068
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No