Information card for entry 2234370

Structure parameters

• Chemical name: <i>catena</i>-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato- κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]
• Formula: C6 H8 O8 Zn
• Calculated formula: C6 H8 O8 Zn
• SMILES: [Zn]1([OH2])([OH2])([OH2])[O]=C(c2oc(cc2)C(=O)[O-])[O]1[Zn]1([OH2])([OH2])([OH2])[O]=C(O1)c1oc(cc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato-κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]
• Authors of publication: Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m500
• a: 7.3677 ± 0.0015 Å
• b: 8.1353 ± 0.0016 Å
• c: 15.107 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 905.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes