Information card for entry 2213013

Structure parameters

• Chemical name: {2-Bromo-4-chloro-6-[2- (isopropylammonio)ethyliminomethyl]phenolato}dichloridozinc(II)
• Formula: C12 H16 Br Cl3 N2 O Zn
• Calculated formula: C12 H16 Br Cl3 N2 O Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(Cl)cc2Br)C=[N]1CC[NH2+]C(C)C
• Title of publication: {2-Bromo-4-chloro-6-[2-(isopropylammonio)ethyliminomethyl]phenolato}dichloridozinc(II)
• Authors of publication: Feng-Wu Wang; Yi-Jun Wei; Qi-Yong Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1084 - m1085
• a: 12.418 ± 0.002 Å
• b: 10.482 ± 0.001 Å
• c: 13.754 ± 0.002 Å
• α: 90°
• β: 99.5 ± 0.001°
• γ: 90°
• Cell volume: 1765.7 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0938
• 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