Information card for entry 2208542

Structure parameters

• Chemical name: Dibromo{4-bromo-2-[2-(diethylaminoethyl)iminomethyl]phenolato}zinc(II)
• Formula: C13 H19 Br3 N2 O Zn
• Calculated formula: C13 H19 Br3 N2 O Zn
• SMILES: [Zn]1(Br)(Br)Oc2c(cc(Br)cc2)C=[N]1CC[NH+](CC)CC
• Title of publication: Dibromo{4-bromo-2-[2-(diethylaminoethyl)iminomethyl]phenolato}zinc(II)
• Authors of publication: You, Zhong-Lu; Wang, Jia; Han, Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m714 - m716
• a: 7.147 ± 0.001 Å
• b: 15.722 ± 0.002 Å
• c: 16.077 ± 0.003 Å
• α: 90°
• β: 101.768 ± 0.002°
• γ: 90°
• Cell volume: 1768.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.12
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes