Information card for entry 4131678

Structure parameters

• Formula: C73 H81 Cl2 N4 Ru2
• Calculated formula: C64 H72 Cl2 N4 Ru2
• Title of publication: Decomposition of Olefin Metathesis Catalysts by Brønsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event.
• Authors of publication: Bailey, Gwendolyn A.; Lummiss, Justin A. M.; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar R.; Fogg, Deryn E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 46
• Pages of publication: 16446 - 16449
• a: 11.4339 ± 0.0003 Å
• b: 40.051 ± 0.0011 Å
• c: 54.661 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25031.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No