Information card for entry 2213213

Structure parameters

• Formula: C15 H21 Cu N3 O5
• Calculated formula: C15 H21 Cu N3 O5
• SMILES: [Cu]123(Oc4c(cc(N(=O)=O)cc4)C=[N]2CC[N]3(CC)CC)OC(=[O]1)C
• Title of publication: Acetato{2-[2-(diethylamino)ethyliminomethyl]-4-nitrophenolato}copper(II)
• Authors of publication: Wang, Jia; You, Zhonglu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1198 - m1199
• a: 18.458 ± 0.002 Å
• b: 6.5665 ± 0.0007 Å
• c: 13.8915 ± 0.0015 Å
• α: 90°
• β: 91.111 ± 0.002°
• γ: 90°
• Cell volume: 1683.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes