Information card for entry 2202292

Structure parameters

• Chemical name: Hydronium pentaaquacopper(II) triperchlorate
• Formula: Cl3 Cu H13 O18
• Calculated formula: Cl3 Cu H10 O18
• SMILES: [OH2][Cu]([OH2])([OH2])([OH2])[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[OH3+].[O-]Cl(=O)(=O)=O
• Title of publication: Hydronium pentaaquacopper(II) triperchlorate
• Authors of publication: Bramsen, Fabienne; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: i105 - i106
• a: 10.1659 ± 0.0007 Å
• b: 10.1659 ± 0.0007 Å
• c: 13.1601 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1177.83 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes