Information card for entry 2213371

Structure parameters

• Chemical name: Dibromido{4-chloro-2-[3-(dimethylamino)propyliminomethyl]phenolato}zinc(II)
• Formula: C12 H17 Br2 Cl N2 O Zn
• Calculated formula: C12 H17 Br2 Cl N2 O Zn
• SMILES: [Zn]1(Br)(Br)Oc2c(cc(Cl)cc2)C=[N]1CCC[NH+](C)C
• Title of publication: Dibromido{4-chloro-2-[3-(dimethylamino)propyliminomethyl]phenolato}zinc(II)
• Authors of publication: Qi-Yong Zhu; Yi-Jun Wei; Feng-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1431 - m1432
• a: 7.103 ± 0.001 Å
• b: 14.851 ± 0.002 Å
• c: 16.058 ± 0.002 Å
• α: 90°
• β: 91.886 ± 0.002°
• γ: 90°
• Cell volume: 1693 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes