Information card for entry 4127131

Structure parameters

• Formula: C48 H70 F6 N2 Sb
• Calculated formula: C48 H70 F6 N2 Sb
• SMILES: [Sb](F)(F)([F-])(F)(F)F.N1(C(C)(CC(CC)(CC)C1=C=C=C=C1N(C(C)(C)CC1(CC)CC)c1c(C(C)C)cccc1C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Organic Mixed Valence Compounds Derived from Cyclic (Alkyl)(amino)carbenes.
• Authors of publication: Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 12.587 ± 0.005 Å
• b: 12.708 ± 0.005 Å
• c: 18.55 ± 0.008 Å
• α: 90°
• β: 101.244 ± 0.014°
• γ: 90°
• Cell volume: 2910 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No