Information card for entry 2215761

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aquabis[3-(4-carboxyphenoxy)propionato- κ^2^<i>O</i>,O']zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Formula: C30 H32 N2 O13 Zn
• Calculated formula: C30 H32 N2 O13 Zn
• SMILES: [Zn]12([OH2])([O]=C(O1)CCOc1ccc(cc1)C(=O)O)([n]1ccc(cc1)c1cc[n]([Zn]34([OH2])([O]=C(O3)CCOc3ccc(cc3)C(=O)O)OC(=[O]4)CCOc3ccc(cc3)C(=O)O)cc1)([O]=C(O2)CCOc1ccc(cc1)C(=O)O)[n]1ccc(cc1)c1ccncc1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aquabis[3-(4-carboxyphenoxy)propionato-κ^2^<i>O</i>,<i>O</i>']zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Authors of publication: Li-Li Kong; Shan Gao; Li-Hua Huo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2791 - m2792
• a: 11.109 ± 0.002 Å
• b: 6.0063 ± 0.0012 Å
• c: 22.871 ± 0.005 Å
• α: 90°
• β: 90.54 ± 0.03°
• γ: 90°
• Cell volume: 1526 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes