Information card for entry 4087871

Structure parameters

• Formula: C56 H44 B F24 Ir N4 O6
• Calculated formula: C56 H44 B F24 Ir N4 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: 20.5168 ± 0.0003 Å
• b: 17.3725 ± 0.0003 Å
• c: 34.3622 ± 0.0008 Å
• α: 90°
• β: 98.034 ± 0.002°
• γ: 90°
• Cell volume: 12127.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No