Information card for entry 4319949

Structure parameters

• Chemical name: cyclooctaselenium
• Formula: Se8
• Calculated formula: Se8
• SMILES: [Se]1[Se][Se][Se][Se][Se][Se][Se]1
• Title of publication: Preparation, Crystal Structure, and Spectroscopic Characterization of [(Se2SN2)Cl]2
• Authors of publication: Arto Maaninen; Jari Konu; Risto S. Laitinen; Tristram Chivers; Gabriele Schatte; Jarkko Pietikäinen; Markku Ahlgrén
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3539 - 3543
• a: 8.894 ± 0.002 Å
• b: 9 ± 0.002 Å
• c: 11.383 ± 0.002 Å
• α: 90°
• β: 90.68 ± 0.02°
• γ: 90°
• Cell volume: 911.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 1
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No