Information card for entry 2218158

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetraaqua(μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>')zinc(II)] fumarate tetrahydrate]
• Formula: C14 H26 N2 O12 Zn
• Calculated formula: C14 H26 N2 O12 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)c1cc[n](cc1)[Zn]([OH2])([OH2])([OH2])[OH2])[n]1ccc(c2ccncc2)cc1.O.O.[O-]C(=O)/C=C/C(=O)[O-].O.O.O.O.[O-]C(=O)/C=C/C(=O)[O-].O.O
• Title of publication: <i>catena</i>-Poly[[tetraaqua(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')zinc(II)] fumarate tetrahydrate]
• Authors of publication: Tian, Yong; Wu, Ya-Pan; Li, Dong-Sheng; Wang, Hui; Wang, Ji-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m662 - m663
• a: 17.094 ± 0.005 Å
• b: 11.394 ± 0.003 Å
• c: 13.082 ± 0.006 Å
• α: 90°
• β: 126.652 ± 0.002°
• γ: 90°
• Cell volume: 2044.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes