Information card for entry 2209298

Structure parameters

• Chemical name: Dibromo{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}zinc(II)
• Formula: C13 H18 Br2 Cl2 N2 O Zn
• Calculated formula: C13 H18 Br2 Cl2 N2 O Zn
• SMILES: [Zn]1(Br)(Br)Oc2c(cc(Cl)cc2Cl)C=[N]1CC[NH+](CC)CC
• Title of publication: Dibromo{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}zinc(II)
• Authors of publication: San-Jun Peng; Cong-Shan Zhou; Tao Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1413 - m1415
• a: 7.687 ± 0.001 Å
• b: 19.102 ± 0.003 Å
• c: 13.841 ± 0.002 Å
• α: 90°
• β: 118.452 ± 0.003°
• γ: 90°
• Cell volume: 1786.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes