Information card for entry 7047742

Structure parameters

• Formula: C13 H19 Ir O P2
• Calculated formula: C13 H19 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: 13.5827 ± 0.0009 Å
• b: 10.683 ± 0.0007 Å
• c: 20.4334 ± 0.0013 Å
• α: 90°
• β: 96.186 ± 0.003°
• γ: 90°
• Cell volume: 2947.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No