Information card for entry 2216581

Structure parameters

• Chemical name: catena-Poly[[(2,2'-bipyridyl-κ^2^N,N')zinc(II)]-μ~3~- (5-hydroxyisophthalato-κ^4^O,O':O'':O''') monohydrate]
• Formula: C18 H14 N2 O6 Zn
• Calculated formula: C18 H14 N2 O6 Zn
• SMILES: [Zn]1234([n]5ccccc5c5cccc[n]15)[O]=C(c1cc(cc(c1)O)C(=O)O[Zn]15([n]6ccccc6c6cccc[n]16)[O]=C(c1cc(cc(c1)O)C(=[O]3)O[Zn]136([O]=C(c7cc(C8=[O][Zn]9([n]%10ccccc%10c%10cccc[n]9%10)(O8)OC(=O)c8cc(C(=[O]3)O6)cc(c8)O)cc(c7)O)O4)[n]3ccccc3c3cccc[n]13)O5)O2.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ~3~-(5-hydroxyisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')] monohydrate]
• Authors of publication: Li, Xiao-Feng; An, Yan; Yin, Yan-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3117 - m3118
• a: 8.777 ± 0.002 Å
• b: 10.9763 ± 0.0016 Å
• c: 17.981 ± 0.003 Å
• α: 90°
• β: 103.65 ± 0.014°
• γ: 90°
• Cell volume: 1683.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes