Information card for entry 4087120

Structure parameters

• Formula: C69 H70 F14 N4 O6 S4
• Calculated formula: C69 H70 F14 N4 O6 S4
• Title of publication: Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.
• Authors of publication: Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 849 - 857
• a: 11.0398 ± 0.001 Å
• b: 12.004 ± 0.001 Å
• c: 26.202 ± 0.002 Å
• α: 90°
• β: 93.087 ± 0.004°
• γ: 90°
• Cell volume: 3467.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No