Information card for entry 4135419

Structure parameters

• Formula: C25 H25 F12 N3 O2 P2 S2
• Calculated formula: C25 H25 F12 N3 O2 P2 S2
• 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: 10.4509 ± 0.0004 Å
• b: 12.2972 ± 0.0004 Å
• c: 13.7176 ± 0.0005 Å
• α: 64.875 ± 0.002°
• β: 77.838 ± 0.002°
• γ: 65.854 ± 0.002°
• Cell volume: 1455.03 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No