Information card for entry 2231923

Structure parameters

• Chemical name: Bis(nitrato-κ<i>O</i>)tetrakis[1-phenyl-3-(1<i>H</i>-1,2,4-triazol- 1-yl)propan-1-one]copper(II)
• Formula: C44 H44 Cu N14 O10
• Calculated formula: C44 H44 Cu N14 O10
• SMILES: O=N(=O)O[Cu]([n]1cnn(c1)CCC(=O)c1ccccc1)([n]1cnn(c1)CCC(=O)c1ccccc1)([n]1cnn(c1)CCC(=O)c1ccccc1)([n]1cnn(c1)CCC(=O)c1ccccc1)ON(=O)=O
• Title of publication: Bis(nitrato-κ<i>O</i>)tetrakis[1-phenyl-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one]copper(II)
• Authors of publication: Cai, Hua; Guo, Ying; Li, Jian-Gang; Wu, Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1385
• a: 7.7742 ± 0.0014 Å
• b: 12.472 ± 0.002 Å
• c: 12.498 ± 0.002 Å
• α: 102.232 ± 0.003°
• β: 100.737 ± 0.003°
• γ: 104.394 ± 0.003°
• Cell volume: 1110 ± 0.3 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 all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes