Information card for entry 2204812

Structure parameters

• Chemical name: beta-monoclinic cyclooctaselenium
• Formula: Se8
• Calculated formula: Se8
• SMILES: [Se]1[Se][Se][Se][Se][Se][Se][Se]1
• Title of publication: A low-temperature redetermination of the monoclinic β-form of cyclooctaselenium
• Authors of publication: Tiina Maaninen; Jari Konu; Risto S. Laitinen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2235 - o2237
• a: 9.2004 ± 0.0018 Å
• b: 8 ± 0.0016 Å
• c: 12.735 ± 0.003 Å
• α: 90°
• β: 92.95 ± 0.03°
• γ: 90°
• Cell volume: 936.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 1
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No