Information card for entry 2232335

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(acetato-κ<i>O</i>)[4-(1<i>H</i>-pyrazol-3- yl)pyridine-κ<i>N</i>^1^]zinc]-μ-acetato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C12 H13 N3 O4 Zn
• Calculated formula: C12 H7 N3 O4 Zn
• SMILES: [Zn]([n]1ccc(cc1)c1n[nH]cc1)(OC(=O)C)(OC(=O)C)[O]=C(O[Zn]([n]1ccc(cc1)c1n[nH]cc1)OC(=O)C)C
• Title of publication: <i>catena</i>-Poly[[(acetato-κ<i>O</i>)[4-(1<i>H</i>-pyrazol-3-yl)pyridine-κ<i>N</i>^1^]zinc]-μ-acetato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Yi, Zhi-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1512
• a: 16.371 ± 0.003 Å
• b: 8.8526 ± 0.0018 Å
• c: 9.5041 ± 0.0019 Å
• α: 90°
• β: 94.18 ± 0.03°
• γ: 90°
• Cell volume: 1373.7 ± 0.5 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: 0.0784
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1314
• 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