Information card for entry 7124746

Structure parameters

• Formula: C29 H48 Ir O2 P3
• Calculated formula: C29 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: 10.2215 ± 0.0011 Å
• b: 11.864 ± 0.0013 Å
• c: 16.0253 ± 0.0018 Å
• α: 103.712 ± 0.002°
• β: 100.633 ± 0.002°
• γ: 93.622 ± 0.002°
• Cell volume: 1843.9 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No