Information card for entry 2234689

Structure parameters

• Chemical name: <i>catena</i>-Poly[(aquadimethanolzinc)-μ-furan-2,5- dicarboxylato-κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]
• Formula: C8 H12 O8 Zn
• Calculated formula: C8 H12 O8 Zn
• SMILES: [Zn]1(OC(=[O]1)c1oc(cc1)C(=O)[O-])([OH2])([OH]C)([OH]C)[O]1[Zn]([O]=C1c1oc(cc1)C(=O)[O])([OH2])([OH]C)[OH]C
• Title of publication: <i>catena</i>-Poly[(aquadimethanolzinc)-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: 5
• Pages of publication: m595
• a: 10.077 ± 0.002 Å
• b: 8.1235 ± 0.0016 Å
• c: 17.101 ± 0.003 Å
• α: 90°
• β: 124.86 ± 0.03°
• γ: 90°
• Cell volume: 1148.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes