Information card for entry 7115013

Structure parameters

• Common name: [Me2NN]Cu(styrene)
• Formula: C29 H33 Cu N2
• Calculated formula: C29 H33 Cu N2
• SMILES: [Cu]12(N(c3c(cccc3C)C)C(=CC(=[N]1c1c(cccc1C)C)C)C)[CH](=[CH2]2)c1ccccc1
• 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: 17.4077 ± 0.0014 Å
• b: 15.3217 ± 0.0012 Å
• c: 18.5088 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4936.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No