Information card for entry 7108648

Structure parameters

• Formula: C74 H58 B F24 Ir N4
• Calculated formula: C74 H58 B F24 Ir N4
• Title of publication: Hydrogen shuttling: synthesis and reactivity of a 14-electron iridium complex featuring a bis(alkyl) tethered N-heterocyclic carbene ligand
• Authors of publication: Christina Y. Tang; Nicholas Phillips; Michael J. Kelly; Simon Aldridge
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11999
• a: 16.99 ± 0.0002 Å
• b: 20.4349 ± 0.0002 Å
• c: 21.0342 ± 0.0003 Å
• α: 90°
• β: 104.897 ± 0.0005°
• γ: 90°
• Cell volume: 7057.37 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0662
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No