Information card for entry 4122349

Structure parameters

• Formula: C114 H140 F48 N12 O20 P8 Pt2 S8
• Calculated formula: C114 H140 F48 N12 O20 P8 Pt2 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: 37.143 ± 0.005 Å
• b: 13.161 ± 0.003 Å
• c: 34.426 ± 0.005 Å
• α: 90°
• β: 93.675 ± 0.01°
• γ: 90°
• Cell volume: 16794 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.1189
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No