Information card for entry 7047745

Structure parameters

• Formula: C27.5 H51 Ir O P2
• Calculated formula: C27.5 H51 Ir O P2
• Title of publication: H₂ addition to (^Me4PCP)Ir(CO): studies of the isomerization mechanism.
• Authors of publication: Lekich, Travis T.; Gary, J. Brannon; Bellows, Sarina M.; Cundari, Thomas R.; Guard, Louise M.; Heinekey, D. Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 16119 - 16125
• a: 12.3793 ± 0.0006 Å
• b: 14.3928 ± 0.0008 Å
• c: 32.473 ± 0.002 Å
• α: 90°
• β: 91.108 ± 0.004°
• γ: 90°
• Cell volume: 5784.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No