Information card for entry 2207922

Structure parameters

• Chemical name: Hexaaquacopper(II) dinitrate
• Formula: Cu H12 N2 O12
• Calculated formula: Cu H12 N2 O12
• SMILES: [Cu]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Hexaaquacopper(II) dinitrate: absence of Jahn‒Teller distortion
• Authors of publication: Zibaseresht, Ramin; Hartshorn, Richard M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: i19 - i22
• a: 5.7404 ± 0.0008 Å
• b: 7.6452 ± 0.001 Å
• c: 11.4655 ± 0.0015 Å
• α: 106.428 ± 0.002°
• β: 98.399 ± 0.002°
• γ: 101.504 ± 0.002°
• Cell volume: 461.84 ± 0.11 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes