Information card for entry 4127448

Structure parameters

• Formula: C69 H90 F12 N6 O3.5 Sb2
• Calculated formula: C69 H90 F12 N6 O3.5 Sb2
• Title of publication: Organic Redox Systems Based on Pyridinium-Carbene Hybrids.
• Authors of publication: Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 24
• Pages of publication: 9701 - 9711
• a: 11.7476 ± 0.0008 Å
• b: 16.1366 ± 0.0013 Å
• c: 20.0336 ± 0.0017 Å
• α: 86.506 ± 0.003°
• β: 74.026 ± 0.003°
• γ: 81.296 ± 0.003°
• Cell volume: 3608.3 ± 0.5 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No