Information card for entry 4128579

Structure parameters

• Formula: C18 H36 Cl8 Fe3 O6
• Calculated formula: C18 H36 Cl8 Fe3 O6
• Title of publication: Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.
• Authors of publication: Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 11870 - 11880
• a: 9.176 ± 0.0003 Å
• b: 18.7713 ± 0.0007 Å
• c: 10.2557 ± 0.0004 Å
• α: 90°
• β: 91.1083 ± 0.0008°
• γ: 90°
• Cell volume: 1766.17 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• 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: 0.0415
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No