Information card for entry 2212706

Structure parameters

• Chemical name: Dichloro{4-nitro-2-[(2-isopropylaminoethylimino)methyl]phenolato}zinc(II)
• Formula: C12 H17 Cl2 N3 O3 Zn
• Calculated formula: C12 H17 Cl2 N3 O3 Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(N(=O)=O)cc2)C=[N]1CC[NH2+]C(C)C
• Title of publication: Dichloro{2-[(2-isopropylaminoethylimino)methyl]-4-nitrophenolato}zinc(II)
• Authors of publication: Shou-Xing Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m706 - m707
• a: 11.721 ± 0.001 Å
• b: 11.675 ± 0.001 Å
• c: 12.356 ± 0.002 Å
• α: 90°
• β: 109.191 ± 0.001°
• γ: 90°
• Cell volume: 1596.9 ± 0.3 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: 0.044
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes