Information card for entry 2217522

Structure parameters

• Chemical name: Aquabis(4-hydroxybenzoato-κO)(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) monohydrate
• Formula: C26 H22 N2 O8 Zn
• Calculated formula: C26 H22 N2 O8 Zn
• SMILES: [Zn]12(OC(=[O]1)c1ccc(O)cc1)(OC(=O)c1ccc(O)cc1)([OH2])[n]1c3c(ccc1)ccc1ccc[n]2c31.O
• Title of publication: Aqua(4-hydroxybenzoato-κ<i>O</i>)(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) monohydrate
• Authors of publication: Li-Li Kong; Shan Gao; Huo, Li-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m422 - m422
• a: 11.1169 ± 0.0005 Å
• b: 19.738 ± 0.001 Å
• c: 11.5503 ± 0.0006 Å
• α: 90°
• β: 106.298 ± 0.001°
• γ: 90°
• Cell volume: 2432.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes