Information card for entry 4087866

Structure parameters

• Formula: C76 H80 B Cl F24 Ir2 N8 O8
• Calculated formula: C76 H76 B Cl F24 Ir2 N8 O8
• 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: 13.50552 ± 0.00017 Å
• b: 22.2205 ± 0.0003 Å
• c: 30.8469 ± 0.0005 Å
• α: 90°
• β: 98.4554 ± 0.0013°
• γ: 90°
• Cell volume: 9156.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No