Information card for entry 4122353

Structure parameters

• Formula: C114 H140 F48 N12 O20 P8 Pd2 S8
• Calculated formula: C114 H140 F47.988 N12 O20 P7.998 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: 35.8988 ± 0.0019 Å
• b: 12.3423 ± 0.0006 Å
• c: 39.878 ± 0.002 Å
• α: 90°
• β: 100.002 ± 0.004°
• γ: 90°
• Cell volume: 17400.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1534
• Residual factor for significantly intense reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.3567
• Weighted residual factors for all reflections included in the refinement: 0.3771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.541
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No