Information card for entry 4080400

Structure parameters

• Formula: C116 H170 Co2 N10 O2 P6 Zr2
• Calculated formula: C116 H170 Co2 N10 O2 P6 Zr2
• Title of publication: Catalytic Hydrosilylation of Ketones Using a Co/Zr Heterobimetallic Complex: Evidence for an Unusual Mechanism Involving Ketyl Radicals
• Authors of publication: Zhou, Wen; Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1766
• a: 12.8526 ± 0.0005 Å
• b: 15.6573 ± 0.0005 Å
• c: 18.0649 ± 0.0007 Å
• α: 89.884 ± 0.002°
• β: 83.36 ± 0.002°
• γ: 82.805 ± 0.002°
• Cell volume: 3582.2 ± 0.2 ų
• Cell temperature: 135 K
• Ambient diffraction temperature: 135 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.1273
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No