Information card for entry 4130520

Structure parameters

• Formula: C64 H61 F18 N7 P3
• Calculated formula: C64 H61 F18 N7 P3
• Title of publication: Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.
• Authors of publication: Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 26
• Pages of publication: 8288 - 8300
• a: 27.8633 ± 0.0018 Å
• b: 19.6876 ± 0.0013 Å
• c: 14.3635 ± 0.0009 Å
• α: 90°
• β: 121.019 ± 0.002°
• γ: 90°
• Cell volume: 6752.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2952
• Weighted residual factors for all reflections included in the refinement: 0.3082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No