Information card for entry 4087606

Structure parameters

• Formula: C66 H56 B F24 Ir N O3 P Si
• Calculated formula: C66 H56 B F24 Ir N O3 P Si
• Title of publication: Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4]
• Authors of publication: Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3849
• a: 12.3952 ± 0.0019 Å
• b: 15.021 ± 0.002 Å
• c: 18.869 ± 0.003 Å
• α: 71.324 ± 0.003°
• β: 80.182 ± 0.003°
• γ: 84.966 ± 0.003°
• Cell volume: 3277.4 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No