Information card for entry 2009756

Structure parameters

• Chemical name: 3-selenocyanatopyridine
• Formula: C6 H4 N2 Se
• Calculated formula: C6 H4 N2 Se
• Title of publication: 3-Selenocyanatopyridine
• Authors of publication: Dunne, S. J.; Summers, L. A.; von Nagy-Felsobuki, E. I.; Mackay, M. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 971 - 974
• a: 7.71 ± 0.001 Å
• b: 8.132 ± 0.001 Å
• c: 11.024 ± 0.002 Å
• α: 90°
• β: 108.16 ± 0.01°
• γ: 90°
• Cell volume: 656.75 ± 0.17 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 2.82
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No