Information card for entry 2205286

Structure parameters

• Chemical name: catena-Poly[[(2,2'-bipyridine)nickel(II)]-μ-4,4'-oxydibenzoato]
• Formula: C24 H16 N2 Ni O5
• Calculated formula: C24 H16 N2 Ni O5
• SMILES: [Ni]123(OC(=[O]1)c1ccc(Oc5ccc(cc5)C([O-])=O)cc1)([n]1ccccc1c1[n]3cccc1)OC(=[O]2)c1ccc(Oc2ccc(C3=[O][Ni]4(O3)[n]3ccccc3c3[n]4cccc3)cc2)cc1
• Title of publication: <i>catena</i>-Poly[[(2,2'-bipyridine)nickel(II)]-μ-4,4'-oxydibenzoato]
• Authors of publication: Hong-Ping Xiao; Ya-Qian Cheng; Xin-Hua Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m469 - m470
• a: 12.2223 ± 0.0018 Å
• b: 15.017 ± 0.002 Å
• c: 11.3182 ± 0.0016 Å
• α: 90°
• β: 92.026 ± 0.003°
• γ: 90°
• Cell volume: 2076.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes