Information card for entry 4336358

Structure parameters

• Formula: C69 H48 Ir P3
• Calculated formula: C69 H48 Ir P3
• Title of publication: C-H Activation of 2,4,6-Triphenylphosphinine: Synthesis and Characterization of the First Homoleptic Phosphinine-Iridium(III) Complex fac-[Ir(C^P)3]
• Authors of publication: Leen E. E. Broeckx; Wylliam Delaunay; Camille Latouche; Martin Lutz; Abdou Boucekkine; Muriel Hissler; Christian Müller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10738 - 10740
• a: 13.72 ± 0.0012 Å
• b: 13.5181 ± 0.0012 Å
• c: 51.965 ± 0.005 Å
• α: 90°
• β: 92.2338 ± 0.0019°
• γ: 90°
• Cell volume: 9630.5 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No