Information card for entry 2230178

Structure parameters

• Chemical name: (2-Hydroxyacetato-κ<i>O</i>^1^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) nitrate
• Formula: C26 H19 Cu N5 O6
• Calculated formula: C26 H19 Cu N5 O6
• SMILES: [Cu]12(OC(=O)CO)([n]3c4c(ccc5c4[n]2ccc5)ccc3)[n]2c3c4c(ccc[n]14)ccc3ccc2.O=N(=O)[O-]
• Title of publication: (2-Hydroxyacetato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) nitrate
• Authors of publication: Kong, Ya-Jie; Yuan, Zhuang-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m592
• a: 21.718 ± 0.004 Å
• b: 14.347 ± 0.003 Å
• c: 16.311 ± 0.003 Å
• α: 90°
• β: 117.045 ± 0.003°
• γ: 90°
• Cell volume: 4526.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes