Information card for entry 7048745

Structure parameters

• Formula: C62 H54 Ir O P3
• Calculated formula: C62 H54 Ir O P3
• 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: 13.22571 ± 0.00013 Å
• b: 18.46616 ± 0.00017 Å
• c: 20.7044 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5056.6 ± 0.08 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0155
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No