Information card for entry 4135422

Structure parameters

• Formula: C40 H40 F12 N4 O4 P2
• Calculated formula: C40 H40 F12 N4 O4 P2
• 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: 12.155 ± 0.002 Å
• b: 23.664 ± 0.005 Å
• c: 20.711 ± 0.004 Å
• α: 90°
• β: 90.006 ± 0.003°
• γ: 90°
• Cell volume: 5957 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.1412
• Weighted residual factors for significantly intense reflections: 0.3842
• Weighted residual factors for all reflections included in the refinement: 0.4331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.524
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No