Information card for entry 4081105

Structure parameters

• Formula: C58 H50 Cl2 F6 Ir P5
• Calculated formula: C58 H50 Cl2 F6 Ir P5
• Title of publication: Reductive Elimination at an Ortho-Metalated Iridium(III) Hydride Bearing a Tripodal Tetraphosphorus Ligand
• Authors of publication: Gloaguen, Yann; Jongens, Lianne M.; Reek, Joost N. H.; Lutz, Martin; de Bruin, Bas; van der Vlugt, Jarl Ivar
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4284
• a: 12.7688 ± 0.0003 Å
• b: 12.903 ± 0.0003 Å
• c: 17.9973 ± 0.0003 Å
• α: 89.388 ± 0.001°
• β: 71.597 ± 0.001°
• γ: 68.159 ± 0.001°
• Cell volume: 2592.31 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No