Information card for entry 4135329

Structure parameters

• Formula: C34 H63 Ir O3 P2 Si3
• Calculated formula: C34 H63 Ir O3 P2 Si3
• Title of publication: Kinetic Analysis and Sequencing of Si-H and C-H Bond Activation Reactions: Direct Silylation of Arenes Catalyzed by an Iridium-Polyhydride.
• Authors of publication: Esteruelas, Miguel A.; Martínez, Antonio; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 14.509 ± 0.002 Å
• b: 18.34 ± 0.003 Å
• c: 15.539 ± 0.003 Å
• α: 90°
• β: 96.485 ± 0.002°
• γ: 90°
• Cell volume: 4108.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No