Information card for entry 4122350

Structure parameters

• Formula: C128 H158 F45 N18 O22 P7 Pd2 S8
• Calculated formula: C128 H158 F45 N18 O22 P7 Pd2 S8
• Title of publication: Mechanical bonds and topological effects in radical dimer stabilization.
• Authors of publication: Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 31
• Pages of publication: 11011 - 11026
• a: 13.7152 ± 0.0005 Å
• b: 20.7673 ± 0.0007 Å
• c: 33.7422 ± 0.001 Å
• α: 105.106 ± 0.002°
• β: 92.137 ± 0.002°
• γ: 103.604 ± 0.002°
• Cell volume: 8968.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.1274
• Weighted residual factors for significantly intense reflections: 0.375
• Weighted residual factors for all reflections included in the refinement: 0.3933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.609
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No