Information card for entry 2231169

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-μ-2,2'-oxydibenzoato]
• Formula: C26 H16 N2 O5 Zn
• Calculated formula: C26 H16 N2 O5 Zn
• SMILES: [Zn]123([n]4c5c6[n]2cccc6ccc5ccc4)(OC(=[O]1)c1cc(Oc2c(cccc2)C(=O)[O-])ccc1)[O]=C(O3)c1ccccc1Oc1cccc(C2=[O][Zn]3([n]4c5c6[n]3cccc6ccc5ccc4)O2)c1
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-μ-2,2'-oxydibenzoato]
• Authors of publication: Cai, Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1157
• a: 7.7033 ± 0.0018 Å
• b: 17.403 ± 0.004 Å
• c: 16.23 ± 0.004 Å
• α: 90°
• β: 90.184 ± 0.004°
• γ: 90°
• Cell volume: 2175.8 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes