Information card for entry 2217337

Structure parameters

• Chemical name: Chlorido(1,10-phenanthroline)(1<i>H</i>-1,2,4-triazole-3-carboxylato)copper(II)
• Formula: C15 H10 Cl Cu N5 O2
• Calculated formula: C15 H10 Cl Cu N5 O2
• SMILES: [Cu]12(Cl)([n]3c(n[nH]c3)C(=O)O2)[n]2cccc3c2c2[n]1cccc2cc3
• Title of publication: Chlorido(1,10-phenanthroline)(1<i>H</i>-1,2,4-triazole-3-carboxylato)copper(II)
• Authors of publication: Zhu, Jie; Yin, Xian-Hong; Zhang, Shan-Shan; Zhao, Kai; Lin, Cui-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m71 - m71
• a: 12.7302 ± 0.0016 Å
• b: 17.562 ± 0.003 Å
• c: 14.299 ± 0.002 Å
• α: 90°
• β: 113.836 ± 0.002°
• γ: 90°
• Cell volume: 2924.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.07
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes