Information card for entry 4132643

Structure parameters

• Formula: C264 H252 F12 N36 P2
• Calculated formula: C264 H252 F12.0012 N36 P2.0002
• Title of publication: Mixed-Valence Superstructure Assembled from a Mixed-Valence Host-Guest Complex.
• Authors of publication: Liu, Zhichang; Frasconi, Marco; Liu, Wei-Guang; Zhang, Yu; Dyar, Scott M.; Shen, Dengke; Sarjeant, Amy A.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 30
• Pages of publication: 9387 - 9391
• a: 33.494 ± 0.003 Å
• b: 33.494 ± 0.003 Å
• c: 17.224 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16734 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No