Information card for entry 4122733

Structure parameters

• Common name: Complex 2
• Chemical name: block
• Formula: C55 H51 B F24 Ir N O5 P
• Calculated formula: C55 H51 B F24 Ir N O5 P
• Title of publication: Cation-Modulated Reactivity of Iridium Hydride Pincer-Crown Ether Complexes.
• Authors of publication: Kita, Matthew R.; Miller, Alexander J. M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 41
• Pages of publication: 14519
• a: 35.8564 ± 0.0005 Å
• b: 12.8798 ± 0.0002 Å
• c: 26.6812 ± 0.0003 Å
• α: 90°
• β: 98.0262 ± 0.0006°
• γ: 90°
• Cell volume: 12201.3 ± 0.3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No