Information card for entry 4135421

Structure parameters

• Formula: C60 H66 F18 N10 O4 P3
• Calculated formula: C60 H66 F18 N10 O4 P3
• Title of publication: Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State
• Authors of publication: Anamimoghadam, Ommid; Jones, Leighton O.; Cooper, James A.; Beldjoudi, Yassine; Nguyen, Minh T.; Liu, Wenqi; Krzyaniak, Matthew D.; Pezzato, Cristian; Stern, Charlotte L.; Patel, Hasmukh A.; Wasielewski, Michael R.; Schatz, George C.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.178 ± 0.0007 Å
• b: 12.6271 ± 0.0007 Å
• c: 12.8582 ± 0.0007 Å
• α: 112.345 ± 0.003°
• β: 98.076 ± 0.003°
• γ: 113.601 ± 0.003°
• Cell volume: 1572.7 ± 0.17 ų
• Cell temperature: 100 ± 2 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: 0.0907
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No