Information card for entry 2233722

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(1-methyl-1<i>H</i>imidazole-κ<i>N</i>^3^)zinc]- μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O^2^</i>]
• Formula: C16 H15 N5 O6 Zn
• Calculated formula: C16 H15 N5 O6 Zn
• SMILES: [Zn](OC(=O)c1c(N(=O)=O)cccc1C(=O)[O-])([n]1cn(cc1)C)([n]1cn(cc1)C)OC(=O)c1c(C(=O)O[Zn]([n]2cn(cc2)C)[n]2cn(cc2)C)c(N(=O)=O)ccc1
• Title of publication: <i>catena</i>-Poly[[bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc]-μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O^2^</i>]
• Authors of publication: Zhang, Xi-Juan; Guo, Ming-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m262 - m263
• a: 8.375 ± 0.002 Å
• b: 16.005 ± 0.004 Å
• c: 14.057 ± 0.004 Å
• α: 90°
• β: 102.618 ± 0.004°
• γ: 90°
• Cell volume: 1838.7 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes