Information card for entry 7047744

Structure parameters

• Formula: C13 H21 Ir O P2
• Calculated formula: C13 H21 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: 10.0756 ± 0.0012 Å
• b: 12.0992 ± 0.0017 Å
• c: 25.28 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3081.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No