Information card for entry 2217272

Structure parameters

• Chemical name: catena-poly[[[bis(4-aminobenzoato-κO)copper(II)]-μ- 1,1'-(pentane-1,5-diyl)diimidazole] trihydrate]
• Formula: C25 H34 Cu N6 O7
• Calculated formula: C25 H34 Cu N6 O7
• SMILES: [Cu]([n]1cn(cc1)CCCCCn1cncc1)(OC(=O)c1ccc(cc1)N)(OC(=O)c1ccc(cc1)N)[n]1cn(CCCCCn2c[n]([Cu](OC(=O)c3ccc(cc3)N)OC(=O)c3ccc(cc3)N)cc2)cc1.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(4-aminobenzoato-κ<i>O</i>)copper(II)]-μ-1,1'-(pentane-1,5-diyl)diimidazole] trihydrate]
• Authors of publication: Wen-Li Zhang; Lai-Ping Zhang; Jian-Fang Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m156 - m157
• a: 13.082 ± 0.009 Å
• b: 11.151 ± 0.001 Å
• c: 19.505 ± 0.002 Å
• α: 90 ± 0.001°
• β: 93.725 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 2839 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes