Information card for entry 2211348

Structure parameters

• Chemical name: Aquabis(4-formylbenzoato-κO)(1,10-phenanthroline-κ^2^N,N')zinc(II)
• Formula: C28 H20 N2 O7 Zn
• Calculated formula: C28 H20 N2 O7 Zn
• SMILES: [Zn]1([OH2])(OC(=O)c2ccc(cc2)C=O)(OC(=O)c2ccc(cc2)C=O)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Aquabis(4-formylbenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3527 - m3529
• a: 7.7953 ± 0.0016 Å
• b: 10.517 ± 0.002 Å
• c: 15.323 ± 0.003 Å
• α: 106.87 ± 0.03°
• β: 93.24 ± 0.03°
• γ: 95.32 ± 0.03°
• Cell volume: 1192.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes