Information card for entry 7124748

Structure parameters

• Formula: C28 H48 Ir O2 P3
• Calculated formula: C28 H48 Ir O2 P3
• Title of publication: Iridium-catalysed dehydrocoupling of aryl phosphine-borane adducts: synthesis and characterisation of high molecular weight poly(phosphinoboranes).
• Authors of publication: Paul, Ursula S. D.; Braunschweig, Holger; Radius, Udo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 55
• Pages of publication: 8573 - 8576
• a: 12.8121 ± 0.0012 Å
• b: 12.7747 ± 0.0012 Å
• c: 20.771 ± 0.002 Å
• α: 90°
• β: 104.573 ± 0.001°
• γ: 90°
• Cell volume: 3290.2 ± 0.5 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0185
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No