Information card for entry 2213072

Structure parameters

• Chemical name: catena-[[(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-5- hydroxyisophthalato-κ^2^O^1^:O^3^]
• Formula: C20 H12 Cu N2 O5
• Calculated formula: C20 H12 Cu N2 O5
• SMILES: [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1cc(cc(c1)C(=O)[O-])O)OC(=O)c1cc(cc(C(=O)O[Cu]2[n]3cccc4ccc5ccc[n]2c5c34)c1)O
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Authors of publication: Wang, Ming-Hui; Wu, Jing-Gui; Luan, Guo-You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1039 - m1041
• a: 10.007 ± 0.002 Å
• b: 15.251 ± 0.004 Å
• c: 11.5785 ± 0.0017 Å
• α: 90°
• β: 99.599 ± 0.014°
• γ: 90°
• Cell volume: 1742.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes