Information card for entry 2235346

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,10-phenanthroline)zinc]- μ-3-[3-(carboxylatomethoxy)phenyl]acrylato]
• Formula: C23 H16 N2 O5 Zn
• Calculated formula: C23 H16 N2 O5 Zn
• SMILES: [Zn]12(OC(=[O]1)/C=C/c1cc(OCC(=O)[O-])ccc1)([n]1cccc3c1c1[n]2cccc1cc3)OC(=O)COc1cc(ccc1)/C=C/C1=[O][Zn]2(O1)[n]1cccc3c1c1[n]2cccc1cc3
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato]
• Authors of publication: Chen, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m882
• a: 10.2744 ± 0.0004 Å
• b: 14.9979 ± 0.0006 Å
• c: 15.906 ± 0.0006 Å
• α: 90°
• β: 127.347 ± 0.002°
• γ: 90°
• Cell volume: 1948.51 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes