Information card for entry 4081470

Structure parameters

• Formula: C109 H86 B2 Cl6 F48 Ir2 N2 O4 P2
• Calculated formula: C109 H86 B2 Cl6 F48 Ir2 N2 O4 P2
• 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: 13.3861 ± 0.0009 Å
• b: 14.708 ± 0.001 Å
• c: 16.6176 ± 0.0011 Å
• α: 103.794 ± 0.004°
• β: 90.144 ± 0.004°
• γ: 107.081 ± 0.004°
• Cell volume: 3027.9 ± 0.4 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: 0.0454
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No