Information card for entry 4069039

Structure parameters

• Formula: C37 H42 F6 N2 O5 Ru
• Calculated formula: C37 H42 F6 N2 O5 Ru
• Title of publication: Ru−Alkylidene Metathesis Catalysts Based on 1,3-Dimesityl-4,5,6,7-tetrahydro-1,3-diazepin-2-ylidenes: Synthesis, Structure, and Activity
• Authors of publication: Kumar, P. Santhosh; Wurst, Klaus; Buchmeiser, Michael R.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1785
• a: 12.7876 ± 0.0002 Å
• b: 18.6602 ± 0.0005 Å
• c: 15.8368 ± 0.0004 Å
• α: 90°
• β: 100.799 ± 0.002°
• γ: 90°
• Cell volume: 3712.04 ± 0.15 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No