Information card for entry 2205015

Structure parameters

• Chemical name: catena-Poly[bis[aqua(1,10-phenanthroline)zinc(II)]-μ~4~-1,2,4,5- benzenetetracarboxylato]
• Formula: C34 H22 N4 O10 Zn2
• Calculated formula: C34 H22 N4 O10 Zn2
• SMILES: [Zn]12([OH2])([n]3c4c(ccc3)ccc3ccc[n]2c34)OC(=O)c2c(C(=O)O[Zn]3([OH2])[n]4c5c(ccc4)ccc4ccc[n]3c54)cc(C(=O)O[Zn]3([OH2])[n]4c5c(ccc4)ccc4ccc[n]3c45)c(c2)C(=O)O[Zn]2(OC(=O)c3c(cc(C(=O)[O-])c(c3)C(=O)O1)C(=O)[O-])([OH2])[n]1c3c(ccc1)ccc1ccc[n]2c31
• Title of publication: <i>catena</i>-Poly[bis[aqua(1,10-phenanthroline)zinc(II)]-μ~4~-benzene-1,2,4,5-tetracarboxylato]
• Authors of publication: Liu, Fu-Chen; Wang, Xiu-Li; Li, Jian-Rong; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m299 - m301
• a: 7.9612 ± 0.0002 Å
• b: 11.802 ± 0.0003 Å
• c: 15.3935 ± 0.0004 Å
• α: 90°
• β: 99.614 ± 0.001°
• γ: 90°
• Cell volume: 1426.03 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes