Information card for entry 2203704

Structure parameters

• Chemical name: catena-Poly[[aqua(phenanthroline)zinc(II)]-μ-cyclohexanedicarboxylato]
• Formula: C20 H20 N2 O5 Zn
• Calculated formula: C20 H20 N2 O5 Zn
• SMILES: [Zn]12(OC(=O)C3CCC(CC3)C(=O)[O-])([OH2])([n]3cccc4ccc5ccc[n]1c5c34)[O]=C(O2)C1CCC(C(=O)O[Zn]2([OH2])[n]3cccc4ccc5ccc[n]2c5c34)CC1
• Title of publication: <i>catena</i>-Poly[[aqua(phenanthroline)zinc(II)]-μ-cyclohexanedicarboxylato]
• Authors of publication: Bi, Wenhua; Sun, Daofeng; Cao, Rong; Wang, Yanqin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m711 - m712
• a: 10.0974 ± 0.0003 Å
• b: 8.8974 ± 0.0004 Å
• c: 20.2619 ± 0.001 Å
• α: 90°
• β: 99.997 ± 0.002°
• γ: 90°
• Cell volume: 1792.7 ± 0.13 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 significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes