Information card for entry 2211417

Structure parameters

• Chemical name: Copper(II) diselenium(IV) pentaoxide
• Formula: Cu O5 Se2
• Calculated formula: Cu O5 Se2
• SMILES: [Cu]1O[Se](=[O]2)O[Se](O1)=O[Cu]12O[Se](=O)O[Se](O1)=O
• Title of publication: Reinvestigation of CuSe~2~O~5~
• Authors of publication: Becker, Richard; Berger, Helmuth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: i256 - i257
• a: 12.3869 ± 0.0019 Å
• b: 4.8699 ± 0.0007 Å
• c: 7.9917 ± 0.0013 Å
• α: 90°
• β: 111.953 ± 0.015°
• γ: 90°
• Cell volume: 447.13 ± 0.13 ų
• Cell temperature: 292 ± 3 K
• Ambient diffraction temperature: 292 ± 3 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes