Information card for entry 4087868

Structure parameters

• Formula: C71 H66 B F26 Ir N6 O6
• Calculated formula: C71 H64 B F26 Ir N6 O6
• Title of publication: Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene
• Authors of publication: Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4419
• a: 18.212 ± 0.0003 Å
• b: 19.9992 ± 0.0002 Å
• c: 20.9223 ± 0.0003 Å
• α: 99.7323 ± 0.0012°
• β: 99.5664 ± 0.0014°
• γ: 100.414 ± 0.0012°
• Cell volume: 7233.28 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No