Information card for entry 7051528

Structure parameters

• Formula: C48 H48 Cl N32 O24
• Calculated formula: C48 H48 Cl N32 O24.02
• Title of publication: Photoinduced and dark complexation of unsaturated viologen analogues containing two ammonium tails with cucurbit[8]uril
• Authors of publication: Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Judith A. K. Howard; Yuri A. Strelenko; Vladimir P. Fedin; Michael V. Alfimov; Sergey P. Gromov
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 458
• a: 26.2548 ± 0.0008 Å
• b: 26.2548 ± 0.0008 Å
• c: 12.7555 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8792.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.2546
• Residual factor for significantly intense reflections: 0.1903
• Weighted residual factors for significantly intense reflections: 0.4958
• Weighted residual factors for all reflections included in the refinement: 0.5266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No