Information card for entry 2230812

Structure parameters

• Chemical name: Aquabis(4-chloro-2-hydroxybenzoato-κ<i>O</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Formula: C26 H18 Cl2 N2 O7 Zn
• Calculated formula: C26 H18 Cl2 N2 O7 Zn
• SMILES: [Zn]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1c(O)cc(Cl)cc1)(OC(=O)c1c(O)cc(Cl)cc1)[OH2]
• Title of publication: Aquabis(4-chloro-2-hydroxybenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Authors of publication: Nie, Jing-Jing; Xu, Xun; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m855 - m856
• a: 8.2611 ± 0.0012 Å
• b: 11.0124 ± 0.0016 Å
• c: 14.654 ± 0.002 Å
• α: 100.534 ± 0.007°
• β: 94.36 ± 0.008°
• γ: 111.315 ± 0.005°
• Cell volume: 1206.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes