Information card for entry 1518847

Structure parameters

• Chemical name: μ hydroxo-μ oximato-O-(4,4-dimethyl-8-ethyl-5,8-diazaoctan-2-one oxime κ^3^-N,N',N")copper(II) (4,4-dimethyl-8-ethyl-5,8-diazaoctan-2- one oximato κ^3^ N,N'N")copper(II) diperchlorate
• Formula: C24 H54 Cl2 Cu2 N6 O11
• Calculated formula: C24 H54 Cl2 Cu2 N6 O11
• SMILES: [Cu]123([N](=C(C)CC(C)(C)[NH]1CC[N]2(CC)CC)O)[OH][Cu]12[N](=C(C)CC(C)(C)[NH]1CC[N]2(CC)CC)O3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: An asymmetrical dinuclear copper(II) beta-amino-oxime/oximato-diamine compound with Cu-(OH)-Cu and Cu-(N-O)-Cu bridging; [Cu2(detenoxH)(detenox)(OH)](ClO4)2 (detenoxH = 4,4-dimethyl-7-(N,N-diethylamine)-5-azaheptan-2-one oxime)
• Authors of publication: Neil F. Curtis; Kelly Flood; Ward T. Robinson
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 173 - 175
• a: 13.2773 ± 0.001 Å
• b: 19.3218 ± 0.0016 Å
• c: 14.0515 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3604.8 ± 0.5 ų
• Cell temperature: 165 ± 2 K
• Ambient diffraction temperature: 165 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No