Information card for entry 4121304

Structure parameters

• Formula: C20 H18 Co F4 P
• Calculated formula: C20 H18 Co F4 P
• SMILES: [Co]1234([P](c5ccccc5)(c5ccccc5)C)([cH]5[cH]1[cH]2[cH]3[cH]45)=C(F)C(F)(F)F
• 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: 15.5609 ± 0.0008 Å
• b: 15.4738 ± 0.0008 Å
• c: 8.185 ± 0.0004 Å
• α: 90°
• β: 108.102 ± 0.004°
• γ: 90°
• Cell volume: 1873.29 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No