Information card for entry 7115014

Structure parameters

• Common name: {[Me2NN]Cu(OH)}2
• Formula: C42 H52 Cu2 N4 O2
• Calculated formula: C42 H52 Cu2 N4 O2
• SMILES: C1(=[N](c2c(cccc2C)C)[Cu]2(N(C(=C1)C)c1c(C)cccc1C)[OH][Cu]1(N(C(=CC(=[N]1c1c(cccc1C)C)C)C)c1c(cccc1C)C)[OH]2)C
• Title of publication: Dioxygen activation by a neutral β-diketiminato copper(i) ethylene complex
• Authors of publication: Dai, Xuliang; Warren, Timothy H.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 1998
• a: 23.5194 ± 0.0015 Å
• b: 10.6093 ± 0.0007 Å
• c: 15.2554 ± 0.001 Å
• α: 90°
• β: 93.188 ± 0.001°
• γ: 90°
• Cell volume: 3800.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No