Information card for entry 4134130

Structure parameters

• Chemical name: C75H72BCl8F4N4O3Ru
• Formula: C75 H71 B Cl8 F4 N4 O3 Ru
• Calculated formula: C75 H71 B Cl8 F4 N4 O3 Ru
• Title of publication: A Macrocyclic Ruthenium Carbene for Size-Selective Alkene Metathesis.
• Authors of publication: Zhang, Yutong; Diver, Steven T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 7
• Pages of publication: 3371 - 3374
• a: 26.8848 ± 0.0011 Å
• b: 18.2115 ± 0.0008 Å
• c: 28.4594 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13934.1 ± 1.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No