Information card for entry 4130523

Structure parameters

• Formula: C146 H151 F42 N21 P7
• Calculated formula: C146 H151 F42 N21 P7
• 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: 16.6492 ± 0.0007 Å
• b: 19.7296 ± 0.0009 Å
• c: 22.6647 ± 0.001 Å
• α: 90°
• β: 95.147 ± 0.003°
• γ: 90°
• Cell volume: 7414.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No