Information card for entry 4104824

Structure parameters

• Formula: C84 H116 B22 Br12 F Ir2 N2 P4 Si2
• Calculated formula: C84 H116 B22 Br12 F Ir2 N2 P4 Si2
• Title of publication: Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes
• Authors of publication: Elisa Calimano; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11161 - 11173
• a: 10.3748 ± 0.0017 Å
• b: 13.775 ± 0.002 Å
• c: 19.886 ± 0.003 Å
• α: 79.423 ± 0.003°
• β: 80.422 ± 0.003°
• γ: 80.345 ± 0.003°
• Cell volume: 2727 ± 0.7 ų
• Cell temperature: 159 ± 2 K
• Ambient diffraction temperature: 159 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No