Information card for entry 2217584

Structure parameters

• Chemical name: Nitrato(1,10-phenanthroline)(1<i>H</i>-1,2,4-triazole-3-carboxylato)copper(II)
• Formula: C15 H10 Cu N6 O5
• Calculated formula: C15 H10 Cu N6 O5
• SMILES: [Cu]12([n]3c(n[nH]c3)C(=O)O2)([n]2cccc3c2c2[n]1cccc2cc3)ON(=O)=O
• Title of publication: Nitrato(1,10-phenanthroline)(1<i>H</i>-1,2,4-triazole-3-carboxylato)copper(II)
• Authors of publication: Zhu, Jie; Yin, Xian-Hong; Wei, Ya-Yan; Qin, Ru-Wen; Lin, Cui-Wu; Nong, Hong-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m392 - m392
• a: 12.3779 ± 0.0014 Å
• b: 12.6444 ± 0.0015 Å
• c: 10.0196 ± 0.001 Å
• α: 90°
• β: 107.416 ± 0.002°
• γ: 90°
• Cell volume: 1496.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.042
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes