Information card for entry 7124750

Structure parameters

• Formula: C36 H66 Ir O2 P3
• Calculated formula: C36 H66 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: 10.901 ± 0.0013 Å
• b: 12.686 ± 0.0015 Å
• c: 15.2272 ± 0.0017 Å
• α: 78.184 ± 0.001°
• β: 72.973 ± 0.001°
• γ: 73.418 ± 0.001°
• Cell volume: 1912.8 ± 0.4 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0189
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No