Information card for entry 4105334

Structure parameters

• Common name: 6-KetoDipp-Ir(COD)Cl
• Formula: C38 H52 Cl Ir N2 O2
• Calculated formula: C38 H52 Cl Ir N2 O2
• Title of publication: An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry
• Authors of publication: Todd W. Hudnall; Christopher W. Bielawski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16039 - 16041
• a: 16.468 ± 0.003 Å
• b: 19.084 ± 0.004 Å
• c: 11.224 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3527.4 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No