Information card for entry 4107171

Structure parameters

• Common name: [(iPrNHC)Cu-O-SiMe2Ph]
• Formula: C42 H55 Cu N2 O Si
• Calculated formula: C42 H55 Cu N2 O Si
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Cu]O[Si](C)(C)c1ccccc1.c1(ccccc1)C
• Title of publication: Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond
• Authors of publication: Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19060 - 19063
• a: 10.4429 ± 0.0001 Å
• b: 20.2606 ± 0.0002 Å
• c: 18.8888 ± 0.0002 Å
• α: 90°
• β: 95.372 ± 0.001°
• γ: 90°
• Cell volume: 3978.93 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No