Information card for entry 4088288

Structure parameters

• Formula: C62 H52 B F24 Ir N3 O P
• Calculated formula: C62 H52 B F24 Ir N3 O P
• 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: 19.19 ± 0.0013 Å
• b: 17.4078 ± 0.0013 Å
• c: 19.1973 ± 0.0014 Å
• α: 90°
• β: 97.878 ± 0.004°
• γ: 90°
• Cell volume: 6352.4 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No