Information card for entry 2207630

Structure parameters

• Chemical name: Aqua[4-bromo-2-(pyridinylmethyliminomethyl)phenolato]zinc(II) nitrate monohydrate
• Formula: C13 H14 Br N3 O6 Zn
• Calculated formula: C13 H14 Br N3 O6 Zn
• SMILES: [Zn]12([N](=Cc3c(O1)ccc(Br)c3)Cc1[n]2cccc1)[OH2].O=N(=O)[O-].O
• Title of publication: Aqua[4-bromo-2-(pyridinylmethyliminomethyl)phenolato]zinc(II) nitrate monohydrate
• Authors of publication: Chen, Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2716 - m2717
• a: 7.841 ± 0.002 Å
• b: 9.043 ± 0.002 Å
• c: 12.012 ± 0.002 Å
• α: 106.96 ± 0.002°
• β: 102.78 ± 0.003°
• γ: 93.04 ± 0.003°
• Cell volume: 788.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes