Information card for entry 2212346

Structure parameters

• Chemical name: Dibromo{2-[2-(ethylamino)ethyliminomethyl]-4-nitrophenolato}zinc(II)
• Formula: C11 H15 Br2 N3 O3 Zn
• Calculated formula: C11 H15 Br2 N3 O3 Zn
• SMILES: [Zn]1(Br)(Br)Oc2c(cc(N(=O)=O)cc2)C=[N]1CC[NH2+]CC
• Title of publication: Dibromo{2-[2-(ethylamino)ethyliminomethyl]-4-nitrophenolato}zinc(II)
• Authors of publication: Li-Zhong Li; Zhonglu You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m607 - m609
• a: 11.714 ± 0.002 Å
• b: 11.683 ± 0.002 Å
• c: 13.07 ± 0.002 Å
• α: 90°
• β: 115.912 ± 0.003°
• γ: 90°
• Cell volume: 1608.9 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes