Information card for entry 7109309

Structure parameters

• Common name: IPrCu(COOH)
• Formula: C28 H37 Cu N2 O2
• Calculated formula: C28 H37 Cu N2 O2
• SMILES: C(=O)O[Cu]=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Highly efficient catalytic hydrosilylation of carbon dioxide by an N-heterocyclic carbene copper catalyst
• Authors of publication: Liang Zhang; Jianhua Cheng; Zhaomin Hou
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4782
• a: 9.798 ± 0.003 Å
• b: 10.814 ± 0.003 Å
• c: 16.337 ± 0.006 Å
• α: 70.744 ± 0.005°
• β: 86.134 ± 0.007°
• γ: 85.896 ± 0.005°
• Cell volume: 1628.2 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No