Information card for entry 2215027

Structure parameters

• Chemical name: <i>catena</i>-Poly[hexaaquazinc(II) bis[[triaquazincate(II)]-μ-(5-carboxylato-<i>m</i>-phenylenedioxy)diacetato- κ^2^<i>O</i>^1^:<i>O</i>^5^] heptahydrate]
• Formula: C22 H52 O35 Zn3
• Calculated formula: C22 H52 O35 Zn3
• SMILES: [Zn]([OH2])([OH2])([OH2])OC(=O)c1cc(OCC([O-])=O)cc(c1)OCC(=O)O[Zn](OC(=O)c1cc(OC([O-])=O)cc(OCC(=O)[O-])c1)([OH2])([OH2])[OH2].[Zn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[hexaaquazinc(II) bis[[triaquazincate(II)]-μ-(5-carboxylato-<i>m</i>-phenylenedioxy)diacetato-κ^2^<i>O</i>^1^:<i>O</i>^5^] heptahydrate]
• Authors of publication: Wen, Yi-Hang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2378 - m2379
• a: 7.2044 ± 0.0001 Å
• b: 11.2959 ± 0.0001 Å
• c: 13.6932 ± 0.0002 Å
• α: 70.872 ± 0.001°
• β: 76.436 ± 0.001°
• γ: 74.589 ± 0.001°
• Cell volume: 1001.59 ± 0.02 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes