Information card for entry 2219557

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(1-methylimidazole-κN^3^)zinc(II)]-μ-isophthalato- κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Formula: C16 H16 N4 O4 Zn
• Calculated formula: C16 H16 N4 O4 Zn
• SMILES: [Zn]([n]1ccn(C)c1)([n]1cn(C)cc1)(OC(=O)c1cccc(C(=O)[O-])c1)OC(=O)c1cccc(c1)C(=O)O[Zn]([n]1ccn(C)c1)[n]1cn(C)cc1
• Title of publication: <i>catena</i>-Poly[[bis(1-methylimidazole-κ<i>N</i>^3^)zinc(II)]-μ-isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Authors of publication: Zhao, Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1335
• a: 9.682 ± 0.0019 Å
• b: 13.224 ± 0.003 Å
• c: 26.983 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3454.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes