Information card for entry 4121306

Structure parameters

• Formula: C36 H34 Co F8 P
• Calculated formula: C36 H34 Co F8 P
• SMILES: [Co]12345([P](C)(c6ccccc6)c6ccccc6)([cH]6[cH]4[cH]3[cH]2[cH]16)C(F)(F)C(F)(F)C5(F)C(F)(F)F.c1(ccccc1)C.c1(ccccc1)C
• 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: 11.8486 ± 0.0002 Å
• b: 11.8713 ± 0.0002 Å
• c: 13.5919 ± 0.0002 Å
• α: 97.185 ± 0.001°
• β: 95.637 ± 0.001°
• γ: 118.436 ± 0.001°
• Cell volume: 1640.45 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No