Information card for entry 4067054

Structure parameters

• Common name: jonll10
• Formula: C68 H70 Ir2 N2
• Calculated formula: C68 H70 Ir2 N2
• Title of publication: Reactivity and Regioselectivity of Insertion of Unsaturated Molecules into M−C (M = Ir, Rh) Bonds of Cyclometalated Complexes
• Authors of publication: Li, Ling; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4593
• a: 20.891 ± 0.003 Å
• b: 20.891 ± 0.003 Å
• c: 34.563 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15084 ± 4 ų
• Cell temperature: 173 ± 0.5 K
• Ambient diffraction temperature: 173 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No