Information card for entry 4130613

Structure parameters

• Chemical name: iridium vinyloxy
• Formula: C60 H56 B F24 Ir N O3 P
• Calculated formula: C60 H56 B F24 Ir N O3 P
• Title of publication: Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.
• Authors of publication: Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 27
• Pages of publication: 8396 - 8399
• a: 14.0248 ± 0.0012 Å
• b: 19.7867 ± 0.0017 Å
• c: 24.657 ± 0.002 Å
• α: 110.651 ± 0.002°
• β: 95.629 ± 0.002°
• γ: 97.244 ± 0.002°
• Cell volume: 6276.3 ± 0.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No