Information card for entry 2218817

Structure parameters

• Chemical name: Dibromido{2-[2-(piperidinium-1-yl)ethyliminomethyl]phenolato}zinc(II) monohydrate
• Formula: C14 H22 Br2 N2 O2 Zn
• Calculated formula: C14 H22 Br2 N2 O2 Zn
• SMILES: [Zn]1(Br)(Br)Oc2c(cccc2)C=[N]1CC[NH+]1CCCCC1.O
• Title of publication: Dibromido{2-[2-(piperidinium-1-yl)ethyliminomethyl]phenolato}zinc(II) monohydrate
• Authors of publication: Wei, Yi-Jun; Wang, Feng-Wu; Zhu, Qi-Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m859 - m860
• a: 9.2997 ± 0.0018 Å
• b: 10.1776 ± 0.0017 Å
• c: 11.1667 ± 0.0018 Å
• α: 71.51 ± 0.002°
• β: 71.215 ± 0.002°
• γ: 67.571 ± 0.002°
• Cell volume: 901.8 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes