Information card for entry 4134328

Structure parameters

• Formula: C95 H134 Fe2 N6
• Calculated formula: C95 H136 Fe2 N6
• Title of publication: Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes.
• Authors of publication: Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 21.604 ± 0.005 Å
• b: 21.604 ± 0.005 Å
• c: 8.778 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4097 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No