Information card for entry 4121308

Structure parameters

• Formula: C25 H21 Co F10 N O3 P S
• Calculated formula: C25 H21 Co F10 N O3 P S
• SMILES: [Co]1234([P](C)(c5ccccc5)c5ccccc5)([N]#CC)([cH]5[cH]4[cH]3[cH]2[cH]15)C(F)(F)C(=C(F)\C(F)(F)F)\F.S(=O)(=O)([O-])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: 29.308 ± 0.002 Å
• b: 10.9928 ± 0.0008 Å
• c: 19.2936 ± 0.0013 Å
• α: 90°
• β: 112.929 ± 0.002°
• γ: 90°
• Cell volume: 5724.8 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No