Information card for entry 2236840

Structure parameters

• Chemical name: Poly[[μ-aqua-diaquabis(μ-furan-2,5-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^5^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
• Formula: C39 H33 Cu2 N5 O14
• Calculated formula: C39 H33 Cu2 N5 O14
• SMILES: [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1oc(cc1)C(=O)O[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)([OH2])OC(=O)c1oc(C(=O)O[Cu]2([n]3cccc4ccc5ccc[n]2c5c34)OC(=O)c2oc(cc2)C(=O)O[Cu]2([OH2])[n]3cccc4ccc5ccc[n]2c5c34)cc1)OC(=O)c1oc(cc1)C(=O)[O-].O.O=CN(C)C.O.O.O.O=CN(C)C
• Title of publication: Poly[[μ-aqua-diaquabis(μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
• Authors of publication: Li, Ya-Feng; Qin, Xiao-Lin; Xu, Yue; Yuan, Yong-Peng; Gao, Wen-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1484 - m1485
• a: 16.62 ± 0.003 Å
• b: 11.6 ± 0.002 Å
• c: 20.168 ± 0.004 Å
• α: 90°
• β: 92.41 ± 0.03°
• γ: 90°
• Cell volume: 3884.8 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes