Information card for entry 2208811

Structure parameters

• Chemical name: Aquabis(2-nitrobenzoato-κO)bis(pyridine-kN)copper(II)
• Formula: C24 H20 Cu N4 O9
• Calculated formula: C24 H20 Cu N4 O9
• SMILES: [Cu]([n]1ccccc1)([n]1ccccc1)(OC(=O)c1ccccc1N(=O)=O)([OH2])OC(=O)c1ccccc1N(=O)=O
• Title of publication: Aquabis(2-nitrobenzoato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)copper(II)
• Authors of publication: Chi, Wei-Ping; Zhang, Meng; Wang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1134 - m1135
• a: 7.4496 ± 0.0015 Å
• b: 10.872 ± 0.002 Å
• c: 15.594 ± 0.003 Å
• α: 80.14 ± 0.03°
• β: 81.45 ± 0.03°
• γ: 87.03 ± 0.03°
• Cell volume: 1230.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes