Information card for entry 4087870

Structure parameters

• Formula: C62 H56 B F24 Ir N4 O4
• Calculated formula: C62 H56 B F24 Ir N4 O4
• 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: 13.9785 ± 0.0002 Å
• b: 25.164 ± 0.0004 Å
• c: 18.1797 ± 0.0003 Å
• α: 90°
• β: 103.821 ± 0.0018°
• γ: 90°
• Cell volume: 6209.66 ± 0.17 ų
• Cell temperature: 149.99 ± 0.19 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No