Information card for entry 4121307

Structure parameters

• Formula: C21 H15 Br Co F5 P
• Calculated formula: C21 H15 Br Co F5 P
• Title of publication: Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products
• Authors of publication: Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18296 - 18299
• a: 8.7352 ± 0.0005 Å
• b: 9.6582 ± 0.0005 Å
• c: 13.2094 ± 0.0007 Å
• α: 101.287 ± 0.003°
• β: 100.155 ± 0.003°
• γ: 102.663 ± 0.003°
• Cell volume: 1037.93 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No