Information card for entry 4087605

Structure parameters

• Chemical name: [Ir2Cp*2H3][BArF4]
• Formula: C52 H42 B F24 Ir2
• Calculated formula: C52 H42 B F24 Ir2
• 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: 10.829 ± 0.0002 Å
• b: 12.6902 ± 0.0002 Å
• c: 19.982 ± 0.0004 Å
• α: 91.0343 ± 0.0007°
• β: 97.3543 ± 0.0007°
• γ: 98.1876 ± 0.0008°
• Cell volume: 2693.78 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No