Information card for entry 2017306

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(nitrato-κ<i>O</i>)bis(pyridine-4-carboxamide- κ<i>N</i>^1^)copper(II)
• Formula: C12 H16 Cu N6 O10
• Calculated formula: C12 H16 Cu N6 O10
• SMILES: c1cc(cc[n]1[Cu]([OH2])(ON(=O)=O)([n]1ccc(cc1)C(=O)N)([OH2])ON(=O)=O)C(=O)N
• Title of publication: Uncommon isonicotinamide supramolecular synthons in copper(II) complexes directed by nitrate and perchlorate anions
• Authors of publication: Daković, Marijana; Popović, Zora
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m361 - m366
• a: 7.5367 ± 0.0002 Å
• b: 9.8819 ± 0.0003 Å
• c: 11.7402 ± 0.0004 Å
• α: 90°
• β: 96.28 ± 0.003°
• γ: 90°
• Cell volume: 869.13 ± 0.05 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0291
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes