Information card for entry 2014126

Structure parameters

• Chemical name: Aquabis(2-nitrobenzoato-kO)(1,10-phenanthroline-k^2^N,N')zinc(II)
• Formula: C26 H18 N4 O9 Zn
• Calculated formula: C26 H18 N4 O9 Zn
• SMILES: [Zn]1([OH2])(OC(=O)c2ccccc2N(=O)=O)(OC(=O)c2c(N(=O)=O)cccc2)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Aquabis(2-nitrobenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Authors of publication: Kou-Lin Zhang; Jian-Guo Lin; Ya-Qiong Wang; Wen-Lin Xu; Jiu-Tong Chen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m454 - m456
• a: 10.1418 ± 0.0005 Å
• b: 11.3396 ± 0.0006 Å
• c: 11.9874 ± 0.0006 Å
• α: 97.422 ± 0.001°
• β: 104.139 ± 0.001°
• γ: 108.644 ± 0.001°
• Cell volume: 1234.03 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes