Information card for entry 4123419

Structure parameters

• Formula: C168 H110 F24 N6 O2 P4
• Calculated formula: C168 H110 F24 N6 O2 P4
• Title of publication: Semiconducting single crystals comprising segregated arrays of complexes of c60.
• Authors of publication: Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 6
• Pages of publication: 2392 - 2399
• a: 17.5692 ± 0.0004 Å
• b: 19.4448 ± 0.0005 Å
• c: 20.6 ± 0.0005 Å
• α: 83.1741 ± 0.0017°
• β: 65.6972 ± 0.0015°
• γ: 82.9265 ± 0.0016°
• Cell volume: 6347 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.94 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.2692
• Weighted residual factors for all reflections included in the refinement: 0.2826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No