Information card for entry 4117820

Structure parameters

• Formula: C47 H69 F6 N O2 P4 Ru Si
• Calculated formula: C47 H69 F6 N O2 P4 Ru Si
• Title of publication: A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides
• Authors of publication: Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6695 - 6706
• a: 12.6608 ± 0.0006 Å
• b: 13.329 ± 0.0006 Å
• c: 28.9276 ± 0.0013 Å
• α: 90°
• β: 92.074 ± 0.002°
• γ: 90°
• Cell volume: 4878.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No