Information card for entry 7708594

Structure parameters

• Formula: C46 H53 B2 F8 Ir N6 O3
• Calculated formula: C46 H53 B2 F8 Ir N6 O3
• Title of publication: Remote Control: Stereoselective Coordination of Electron-Deficient 2,2’-bipyridine Ligands to Re(I) and Ir(III) Cores
• Authors of publication: Newman, Paul David; Kariuki, Benson; Lowy, Phoebe; Jerwood, Kimberley; Deeming, Laura
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.5882 ± 0.0001 Å
• b: 13.3127 ± 0.0002 Å
• c: 20.292 ± 0.0003 Å
• α: 90°
• β: 90.672 ± 0.001°
• γ: 90°
• Cell volume: 2319.87 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No