Information card for entry 2220217

Structure parameters

• Chemical name: (2,9-Dimethyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')bis(2-hydroxybenzoato-κ<i>O</i>)copper(II)
• Formula: C28 H22 Cu N2 O6
• Calculated formula: C28 H22 Cu N2 O6
• SMILES: [Cu]1(OC(=O)c2c(O)cccc2)(OC(=O)c2c(O)cccc2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C
• Title of publication: (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-hydroxybenzoato-κ<i>O</i>)copper(II)
• Authors of publication: Zhai, Cuiping; Yan, Feng-mei; Zhao, Pei-zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1526 - m1527
• a: 23.819 ± 0.002 Å
• b: 12.2576 ± 0.0011 Å
• c: 17.9084 ± 0.0017 Å
• α: 90°
• β: 112.023 ± 0.001°
• γ: 90°
• Cell volume: 4847.1 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes