Information card for entry 7028320

Structure parameters

• Chemical name: tetra-acetato-coprate(II)
• Formula: C20 H32 Cu N4 O8
• Calculated formula: C20 H32 Cu N4 O8
• SMILES: [Cu](OC(=O)C)(OC(=O)C)(OC(=O)C)OC(=O)C.n1(c([n+](cc1)CC)c1n(cc[n+]1CC)C)C
• Title of publication: The C-H bond activation in 1-ethyl-3-methylimidazolium acetate-copper(II) acetate-water-air (dioxygen) systems.
• Authors of publication: Shtyrlin, Valery G.; Serov, Nikita Yu; Islamov, Daut R.; Konkin, Alexander L.; Bukharov, Mikhail S.; Gnezdilov, Oleg I.; Krivolapov, Dmitry B.; Kataeva, Ol'ga N.; Nazmutdinova, Gulnara A.; Wendler, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 799 - 805
• a: 8.289 ± 0.004 Å
• b: 9.297 ± 0.004 Å
• c: 16.608 ± 0.008 Å
• α: 78.487 ± 0.007°
• β: 75.633 ± 0.007°
• γ: 89.994 ± 0.007°
• Cell volume: 1213.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1758
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No