Information card for entry 4135423

Structure parameters

• Formula: C48 H52 F24 N8 O4 P4
• Calculated formula: C48 H52 F24 N8 O4 P4
• 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: 10.3979 ± 0.0007 Å
• b: 20.626 ± 0.0014 Å
• c: 13.6454 ± 0.0009 Å
• α: 90°
• β: 101.224 ± 0.002°
• γ: 90°
• Cell volume: 2870.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.033
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No