Information card for entry 7124749

Structure parameters

• Formula: C29 H50 Ir O2 P3
• Calculated formula: C29 H50 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: 10.23 ± 0.0009 Å
• b: 11.9105 ± 0.001 Å
• c: 15.9818 ± 0.0014 Å
• α: 103.735 ± 0.001°
• β: 100.957 ± 0.001°
• γ: 93.714 ± 0.001°
• Cell volume: 1844.8 ± 0.3 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: 0.0204
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No