Information card for entry 2236887

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ- furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate]
• Formula: C16 H16 N2 O8 Zn
• Calculated formula: C16 H16 N2 O8 Zn
• SMILES: [Zn]1(OC(=O)c2oc(cc2)C(=O)[O-])([n]2ccccc2c2[n]1cccc2)([OH2])OC(=O)c1oc(C(=O)O[Zn]2([n]3ccccc3c3[n]2cccc3)[OH2])cc1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate]
• Authors of publication: Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1466
• a: 8.5815 ± 0.0017 Å
• b: 9.2928 ± 0.0019 Å
• c: 12.753 ± 0.003 Å
• α: 69.99 ± 0.03°
• β: 87.63 ± 0.03°
• γ: 65.85 ± 0.03°
• Cell volume: 866.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes