Information card for entry 4107170

Structure parameters

• Common name: [(iPrNHC)Cu-CO2-SiMe2Ph]
• Formula: C37.33 H48.52 Cu N2 O2 Si
• Calculated formula: C37.3355 H48.5268 Cu N2 O2 Si1.00025
• 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: 12.9446 ± 0.0002 Å
• b: 16.1548 ± 0.0003 Å
• c: 20.9756 ± 0.0003 Å
• α: 86.428 ± 0.001°
• β: 72.63 ± 0.001°
• γ: 69.661 ± 0.002°
• Cell volume: 3921.11 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No