Information card for entry 2203871

Structure parameters

• Chemical name: Aqua[2-(pyridin-2-ylmethyliminomethyl)phenolato]zinc(II) nitrate monohydrate
• Formula: C13 H15 N3 O6 Zn
• Calculated formula: C13 H15 N3 O6 Zn
• SMILES: [Zn]12(Oc3c(cccc3)C=[N]1Cc1[n]2cccc1)[OH2].O=N(=O)[O-].O
• Title of publication: Aqua[2-(pyridin-2-ylmethyliminomethyl)phenolato]zinc(II) nitrate monohydrate
• Authors of publication: Li, Zong-Xiao; Zhang, Xin-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m1017 - m1019
• a: 7.7746 ± 0.0007 Å
• b: 8.9911 ± 0.0008 Å
• c: 11.3884 ± 0.001 Å
• α: 71.226 ± 0.001°
• β: 86.229 ± 0.001°
• γ: 86.914 ± 0.001°
• Cell volume: 751.64 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes