Information card for entry 4084062

Structure parameters

• Formula: C60 H49 B F24 Ir P
• Calculated formula: C60 H49 B F24 Ir P
• Title of publication: 1,4- and 1,3-Metal Migration in a Cp*IrIIIComplex: Experimental Evidence of Direct 1,3-Metal Migration
• Authors of publication: Ikeda, Yousuke; Takano, Koichi; Kodama, Shintaro; Ishii, Youichi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 3998
• a: 12.452 ± 0.003 Å
• b: 12.837 ± 0.003 Å
• c: 20.047 ± 0.004 Å
• α: 74.855 ± 0.005°
• β: 75.582 ± 0.005°
• γ: 84.532 ± 0.007°
• Cell volume: 2994.2 ± 1.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No