Information card for entry 7124747

Structure parameters

• Formula: C31 H52 Ir O2 P3
• Calculated formula: C31 H52 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: 10.5197 ± 0.0011 Å
• b: 20.993 ± 0.002 Å
• c: 30.334 ± 0.003 Å
• α: 90°
• β: 99.463 ± 0.002°
• γ: 90°
• Cell volume: 6607.8 ± 1.1 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No