Information card for entry 2220021

Structure parameters

• Chemical name: disodium tricopper(II) tetrakis[selenate(IV)] tetrahydrate
• Formula: Cu3 H8 Na2 O16 Se4
• Calculated formula: Cu3 H8 Na2 O16 Se4
• SMILES: [Cu][OH2].[Cu][OH2].[Cu]([OH2])[OH2].[Na+].[Na+].[Se](=O)([O-])[O-].[Se](=O)([O-])[O-].[Se](=O)([O-])[O-].[Se](=O)([O-])[O-]
• Title of publication: Disodium tricopper(II) tetrakis[selenate(IV)] tetrahydrate
• Authors of publication: Liu, Wei; Zhang, Lan; Hu, Kai; Cao, Lixin; Su, Ge; Zhao, Jingtai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: i78
• a: 5.2218 ± 0.0005 Å
• b: 8.9863 ± 0.0006 Å
• c: 15.796 ± 0.0011 Å
• α: 90°
• β: 92.071 ± 0.004°
• γ: 90°
• Cell volume: 740.74 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes