Information card for entry 4087915

Structure parameters

• Formula: C77 H53 B Cl2 F30 Ir N4 O4 S2
• Calculated formula: C77 H53 B Cl2 F30 Ir N4 O4 S2
• Title of publication: Sequential Nitrene Transfers to an Organometallic Half-Sandwich Iridium Complex
• Authors of publication: Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4810
• a: 24.7042 ± 0.0004 Å
• b: 17.9764 ± 0.0003 Å
• c: 18.7177 ± 0.0003 Å
• α: 90°
• β: 109.295 ± 0.0006°
• γ: 90°
• Cell volume: 7845.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No