Information card for entry 2228824

Structure parameters

• Chemical name: Aquabis(benzoato-κ<i>O</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Formula: C26 H20 N2 O5 Zn
• Calculated formula: C26 H20 N2 O5 Zn
• SMILES: [Zn]1([OH2])(OC(=O)c2ccccc2)(OC(=O)c2ccccc2)[n]2c3c4[n]1cccc4ccc3ccc2
• Title of publication: Aquabis(benzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Authors of publication: Liu, Ji-Zhong; Zhang, Zhong; Shi, Zhan-Wang; Gao, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m30
• a: 10.635 ± 0.005 Å
• b: 21.073 ± 0.01 Å
• c: 11.197 ± 0.005 Å
• α: 90°
• β: 116.647 ± 0.005°
• γ: 90°
• Cell volume: 2242.8 ± 1.8 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: 0.0341
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes