Information card for entry 4130679

Structure parameters

• Formula: C69 H66 B N P3 Ru Si
• Calculated formula: C69 H66 B N P3 Ru Si
• Title of publication: Significant Cooperativity Between Ruthenium and Silicon in Catalytic Transformations of an Isocyanide.
• Authors of publication: Lipke, Mark C.; Liberman-Martin, Allegra L; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 30
• Pages of publication: 9704 - 9713
• a: 14.281 ± 0.003 Å
• b: 13.986 ± 0.003 Å
• c: 29.181 ± 0.006 Å
• α: 90°
• β: 94.55 ± 0.03°
• γ: 90°
• Cell volume: 5810 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No