Information card for entry 4081469

Structure parameters

• Formula: C56.28 H47.55 B Cl2.55 F24 Ir N2 O2 P
• Calculated formula: C56.275 H43.55 B Cl2.55 F24 Ir N2 O2 P
• Title of publication: Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions
• Authors of publication: Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4702
• a: 12.8192 ± 0.0003 Å
• b: 16.1838 ± 0.0004 Å
• c: 17.2644 ± 0.0004 Å
• α: 67.907 ± 0.001°
• β: 69.401 ± 0.001°
• γ: 84.593 ± 0.001°
• Cell volume: 3103.56 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 9
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for all reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0269
• Weighted residual factors for all reflections included in the refinement: 0.0266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No