Information card for entry 2214441

Structure parameters

• Chemical name: Diaquabis(3-methylpyridine-2-carboxamide-κ^2^N,O)copper(II) dinitrate
• Formula: C14 H20 Cu N6 O10
• Calculated formula: C14 H20 Cu N6 O10
• SMILES: c12C(N)=[O][Cu]3([n]2cccc1C)([OH2])([n]1c(c(ccc1)C)C(=[O]3)N)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Diaquabis(3-methylpyridine-2-carboxamide-κ^2^<i>N</i>,<i>O</i>)copper(II) dinitrate
• Authors of publication: Hong Ruan; Hong-Wei Chen; Ri-Cheng Xuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1855 - m1855
• a: 6.656 ± 0.004 Å
• b: 11.874 ± 0.009 Å
• c: 12.472 ± 0.006 Å
• α: 90°
• β: 96.97 ± 0.02°
• γ: 90°
• Cell volume: 978.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes