Information card for entry 2216203

Structure parameters

• Chemical name: catena-Poly[[{2-[3-(dimethylamino)propyliminomethyl]-4- nitrophenolato}copper(II)]-μ-acetato]
• Formula: C14 H19 Cu N3 O5
• Calculated formula: C14 H19 Cu N3 O5
• SMILES: [Cu]12(Oc3c(cc(N(=O)=O)cc3)C=[N]1CCC[N]2(C)C)(OC(=O)C)[O]=C(O[Cu]12Oc3c(cc(N(=O)=O)cc3)C=[N]1CCC[N]2(C)C)C
• Title of publication: <i>catena</i>-Poly[[{2-[3-(dimethylamino)propyliminomethyl]-4-nitrophenolato}copper(II)]-μ-acetato]
• Authors of publication: Wen-Hui Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2982 - m2983
• a: 13.834 ± 0.003 Å
• b: 11.661 ± 0.002 Å
• c: 9.988 ± 0.002 Å
• α: 90°
• β: 99.86 ± 0.03°
• γ: 90°
• Cell volume: 1587.4 ± 0.6 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: 0.1462
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes