Information card for entry 2228585

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2,2'-bipyridine)nickel(II)]-μ-2,4'-oxydibenzoato]
• Formula: C24 H16 N2 Ni O5
• Calculated formula: C24 H16 N2 Ni O5
• SMILES: [Ni]123([O]=C(O1)c1ccc(Oc4c(C(=O)[O-])cccc4)cc1)([n]1c(cccc1)c1cccc[n]21)[O]=C(O3)c1ccccc1Oc1ccc(C2=[O][Ni]3(O2)[n]2c(cccc2)c2cccc[n]32)cc1
• Title of publication: <i>catena</i>-Poly[[(2,2'-bipyridine)nickel(II)]-μ-2,4'-oxydibenzoato]
• Authors of publication: Xu, Jia-Kun; Sun, Xiao-Chun; Guo, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1574
• a: 8.061 ± 0.001 Å
• b: 15.039 ± 0.002 Å
• c: 17.847 ± 0.005 Å
• α: 90°
• β: 99.464 ± 0.003°
• γ: 90°
• Cell volume: 2134.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes