Information card for entry 2203373

Structure parameters

• Chemical name: catena-Poly[[[aqua(1,10-phenanthroline)copper(II)]-μ-isophthalato] N,N -dimethylformamide solvate monohydrate]
• Formula: C23 H23 Cu N3 O7
• Calculated formula: C23 H23 Cu N3 O7
• SMILES: [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1cc(ccc1)C(=O)[O-])([OH2])OC(=O)c1cc(C(=O)O[Cu]2([n]3cccc4ccc5ccc[n]2c5c34)[OH2])ccc1.O=CN(C)C.O.O=CN(C)C.O
• Title of publication: <i>catena</i>-Poly[[[aqua(1,10-phenanthroline)copper(II)]-μ-isophthalato] <i>N,N</i>-dimethylformamide solvate monohydrate]
• Authors of publication: Hong-Ping Xiao; Xin-Hua Li; Mao-Lin Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m468 - m470
• a: 6.9009 ± 0.0002 Å
• b: 31.1833 ± 0.0009 Å
• c: 10.7808 ± 0.0003 Å
• α: 90°
• β: 98.312 ± 0.001°
• γ: 90°
• Cell volume: 2295.58 ± 0.11 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: 0.0425
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No