Information card for entry 4088287

Structure parameters

• Formula: C74 H65 B F24 Ir N5 O
• Calculated formula: C74 H65 B F24 Ir N5 O
• Title of publication: Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes
• Authors of publication: Gruber, Stefan
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 699
• a: 19.0819 ± 0.001 Å
• b: 21.6012 ± 0.0012 Å
• c: 19.6684 ± 0.0011 Å
• α: 90°
• β: 116.033 ± 0.003°
• γ: 90°
• Cell volume: 7284.6 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No