Information card for entry 4106516

Structure parameters

• Formula: C57 H58 B F24 Ir O2 P2
• Calculated formula: C57 H58 B F24 Ir O2 P2
• Title of publication: Role of Coordination Geometry in Dictating the Barrier to Hydride Migration in d6 Square-Pyramidal Iridium and Rhodium Pincer Complexes
• Authors of publication: Michael Findlater; Alison Cartwright-Sykes; Peter S. White; Cynthia K. Schauer; Maurice Brookhart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12274 - 12284
• a: 12.5388 ± 0.0004 Å
• b: 12.5388 ± 0.0004 Å
• c: 78.145 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12286.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No