Information card for entry 7028321

Structure parameters

• Chemical name: tetra-mu-acetato-bis-1-ethyl-3-methyl-1H-imidazol-2(3H)-one-dicopper(II)
• Formula: C20 H32 Cu2 N4 O10
• Calculated formula: C20 H32 Cu2 N4 O10
• SMILES: C1(C)=[O][Cu]234([O]=C(C)O[Cu]4([O]=C(O2)C)([O]=C(C)O3)(O1)[O]=C1N(C=CN1C)CC)[O]=C1N(C=CN1C)CC
• 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: 8.55 ± 0.0006 Å
• b: 8.3061 ± 0.0006 Å
• c: 17.5899 ± 0.0012 Å
• α: 90°
• β: 93.8 ± 0.002°
• γ: 90°
• Cell volume: 1246.44 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No