Information card for entry 2227879

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aquapyridinezinc(II)]-μ~2~-3,3'-(<i>p</i>-\ phenylene)diacrylato] pyridine solvate]
• Formula: C22 H20 N2 O5 Zn
• Calculated formula: C22 H20 N2 O5 Zn
• SMILES: [Zn]13([n]4ccccc4)([O]=C(O1)/C=C/c1ccc(/C=C/C(=O)[O-])cc1)([OH2])[O]=C(/C=C/c1ccc(cc1)/C=C/C(=[O]1)O[Zn]1([OH2])[n]1ccccc1)O3.c1ncccc1.c1ncccc1
• Title of publication: <i>catena</i>-Poly[[[aquapyridinezinc(II)]-μ~2~-3,3'-(<i>p</i>-phenylene)diacrylato] pyridine solvate]
• Authors of publication: Su, Dongpo; Song, Desheng; Fu, Zhiyong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1163
• a: 10.2132 ± 0.0015 Å
• b: 17.375 ± 0.003 Å
• c: 12.8144 ± 0.0019 Å
• α: 90°
• β: 112.36 ± 0.002°
• γ: 90°
• Cell volume: 2103 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes