Information card for entry 4310713

Structure parameters

• Formula: O2 Se
• Calculated formula: O2 Se
• SMILES: [O][Se](=O)O[Se](=O)O[Se](=O)[O]
• Title of publication: Experimental and Theoretical Investigations of Structural Trends for Selenium(IV) Imides and Oxides: X-ray Structure of Se3(NAd)2
• Authors of publication: Tiina Maaninen; Heikki M. Tuononen; Gabriele Schatte; Reijo Suontamo; Jussi Valkonen; Risto Laitinen; Tristram Chivers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2097 - 2104
• a: 8.335 ± 0.0002 Å
• b: 8.335 ± 0.0002 Å
• c: 5.06 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 351.529 ± 0.014 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No