Information card for entry 4135420

Structure parameters

• Formula: C52 H58 F24 N10 O4 P4
• Calculated formula: C52 H58 F24 N10 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: 10.9093 ± 0.0008 Å
• b: 11.8788 ± 0.0009 Å
• c: 14.016 ± 0.0011 Å
• α: 112.99 ± 0.002°
• β: 93.419 ± 0.002°
• γ: 105.009 ± 0.002°
• Cell volume: 1588.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.0414
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No