Information card for entry 4128578

Structure parameters

• Formula: C28 H24 Cl6 Fe2 O4
• Calculated formula: C28 H24 Cl6 Fe2 O4
• SMILES: [Fe](Cl)(Cl)([O]=Cc1ccccc1)([O]=Cc1ccccc1)([O]=Cc1ccccc1)[O]=Cc1ccccc1.[Fe](Cl)(Cl)(Cl)[Cl-]
• 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: 10.4909 ± 0.0004 Å
• b: 11.3351 ± 0.0004 Å
• c: 13.476 ± 0.0005 Å
• α: 93.2595 ± 0.0009°
• β: 92.3269 ± 0.0008°
• γ: 94.7368 ± 0.0008°
• Cell volume: 1592.79 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No