Information card for entry 4122296

Structure parameters

• Formula: C45 H45.5 F24 N8.5 Sb4
• Calculated formula: C45 H45.5 F24 N8.5 Sb4
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)([F-])(F)F.[n+]12ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C2.N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Solid-state characterization and photoinduced intramolecular electron transfer in a nanoconfined octacationic homo[2]catenane.
• Authors of publication: Barnes, Jonathan C.; Frasconi, Marco; Young, Ryan M.; Khdary, Nezar H.; Liu, Wei-Guang; Dyar, Scott M.; McGonigal, Paul R.; Gibbs-Hall, Ian C; Diercks, Christian S.; Sarjeant, Amy A.; Stern, Charlotte L.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 30
• Pages of publication: 10569 - 10572
• a: 16.4947 ± 0.0007 Å
• b: 16.7464 ± 0.0007 Å
• c: 22.8838 ± 0.001 Å
• α: 86.675 ± 0.002°
• β: 78.45 ± 0.002°
• γ: 71.512 ± 0.002°
• Cell volume: 5873.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No