Information card for entry 2234484

Structure parameters

• Chemical name: <i>catena</i>-Poly[[triaquacopper(II)]-μ~2~-furan-2,5-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]
• Formula: C6 H8 Cu O8
• Calculated formula: C6 H8 Cu O8
• SMILES: [Cu](OC(=O)c1oc(cc1)C(=O)[O-])([OH2])([OH2])([OH2])[O]=C(O[Cu]([OH2])([OH2])[OH2])c1oc(cc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[triaquacopper(II)]-μ~2~-furan-2,5-dicarboxylato-κ^4^<i>O</i>^1^,<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: m445
• a: 7.0559 ± 0.0014 Å
• b: 15.04 ± 0.003 Å
• c: 8.1578 ± 0.0016 Å
• α: 90°
• β: 93.92 ± 0.03°
• γ: 90°
• Cell volume: 863.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes