Information card for entry 7048746

Structure parameters

• Formula: C46 H47 Ir O P2
• Calculated formula: C46 H47 Ir O P2
• Title of publication: Using para hydrogen induced polarization to study steps in the hydroformylation reaction.
• Authors of publication: Guan, Dexin; Godard, Cyril; Polas, Stacey M.; Tooze, Robert P.; Whitwood, Adrian C.; Duckett, Simon B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 2664 - 2675
• a: 12.2491 ± 0.0012 Å
• b: 12.2632 ± 0.0012 Å
• c: 16.0048 ± 0.0015 Å
• α: 67.732 ± 0.002°
• β: 88.193 ± 0.002°
• γ: 63.247 ± 0.002°
• Cell volume: 1958.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0439
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No