Information card for entry 2236507

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^5^]
• Formula: C23 H20 Cu N4 O6
• Calculated formula: C23 H20 Cu N4 O6
• SMILES: [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1oc(cc1)C(=O)[O-])OC(=O)c1oc(C(=O)O[Cu]2[n]3cccc4ccc5ccc[n]2c5c34)cc1.O=C1N(CCN1C)C.O=C1N(CCN1C)C
• Title of publication: <i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]
• Authors of publication: Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1140
• a: 15.62 ± 0.003 Å
• b: 14.598 ± 0.003 Å
• c: 18.616 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4244.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes