Information card for entry 2216849

Structure parameters

• Chemical name: Bis(4-formylbenzoato-κO)bis(1H-imidazole-κN^3^)zinc(II)
• Formula: C22 H18 N4 O6 Zn
• Calculated formula: C22 H18 N4 O6 Zn
• SMILES: [Zn](OC(=O)c1ccc(cc1)C=O)(OC(=O)c1ccc(cc1)C=O)([n]1cc[nH]c1)[n]1cc[nH]c1
• Title of publication: Bis(4-formylbenzoato-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3113 - m3113
• a: 11.9413 ± 0.0009 Å
• b: 7.0455 ± 0.0005 Å
• c: 14.2092 ± 0.0009 Å
• α: 90°
• β: 109.904 ± 0.002°
• γ: 90°
• Cell volume: 1124.04 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes