Information card for entry 2213122

Structure parameters

• Chemical name: Dibromido{2,4-dichloro-6-[3- (dimethylammonio)propyliminomethyl]phenolato}zinc(II)
• Formula: C12 H16 Br2 Cl2 N2 O Zn
• Calculated formula: C12 H16 Br2 Cl2 N2 O Zn
• SMILES: [Zn]1(Br)(Br)Oc2c(cc(Cl)cc2Cl)C=[N]1CCC[NH+](C)C
• Title of publication: Dibromido{2,4-dichloro-6-[3-(dimethylammonio)propyliminomethyl]phenolato}zinc(II)
• Authors of publication: Wang, Li-Hua; Li, Li-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1217 - m1219
• a: 8.235 ± 0.001 Å
• b: 14.573 ± 0.002 Å
• c: 29.099 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3492.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes