Information card for entry 2015063

Structure parameters

• Chemical name: Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II)
• Formula: C11 H15 Cl2 N3 O3 Zn
• Calculated formula: C11 H15 Cl2 N3 O3 Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(N(=O)=O)cc2)C=[N]1CC[NH+](C)C
• Title of publication: Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) in unsolvated and hemihydrate forms
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m383 - m385
• a: 7.668 ± 0.002 Å
• b: 13.691 ± 0.003 Å
• c: 14.698 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1543 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes