Information card for entry 7047746

Structure parameters

• Formula: C42 H70 Ir2 O2 P4
• Calculated formula: C42 H70 Ir2 O2 P4
• 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: 11.2062 ± 0.0007 Å
• b: 14.0106 ± 0.0008 Å
• c: 28.6995 ± 0.0018 Å
• α: 90°
• β: 98.215 ± 0.003°
• γ: 90°
• Cell volume: 4459.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No