Information card for entry 2007394

Structure parameters

• Formula: C10 H8 N2 Se2
• Calculated formula: C10 H8 N2 Se2
• SMILES: [Se](c1ncccc1)[Se]c1ncccc1
• Title of publication: An Orthorhombic Polymorph of 2,2'-Dipyridyl Diselenide
• Authors of publication: Dunne, Simon, J.; von Nagy-Felsobuki, Ellak, I.; Mackay, Maureen, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 887 - 889
• a: 17.492 ± 0.004 Å
• b: 10.839 ± 0.002 Å
• c: 5.753 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1090.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.0867
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No