Information card for entry 1100148

Structure parameters

• Formula: C10 H12 Cu N10 O10
• Calculated formula: C10 H12 Cu N10 O10
• SMILES: [Cu]([n]1cnn2c1[nH]ccc2=O)([n]1cnn2c1[nH]ccc2=O)(ON(=O)=O)(ON(=O)=O)([OH2])[OH2]
• Title of publication: Diaquabis(nitrato-O)bis(4,7-dihydro-1,2,4-triazolo [1,5-a]pyrimidine-7-one-N^3^)copper(II).
• Authors of publication: Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Pages of publication: m903 - m905
• a: 14.4717 ± 0.0005 Å
• b: 6.4247 ± 0.0002 Å
• c: 18.4846 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.63 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 2202376
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No