Information card for entry 7114256

Structure parameters

• Chemical name: Dicesium- C70 fulleride dimer - hexamethoxycyclotriveratrylene - N,N-dimethylformamide-benzene solvate
• Formula: C385 H167 Cs4 N14 O26
• Calculated formula: C385 H167 Cs4 N14 O26
• Title of publication: The formation of a single-bonded (C70???)2 dimer in a new ionic multicomponent complex of cyclotriveratrylene: (Cs+)2(C70???)2??CTV??(DMF)7(C6H6)0.75
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Vorontsov, Ivan I.; Saito, Gunzi; Antipin, Mikhail Yu.; Otsuka, Akihiro; Lyubovskaya, Rimma N.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 2548
• a: 25.937 ± 0.008 Å
• b: 29.113 ± 0.011 Å
• c: 34.221 ± 0.014 Å
• α: 90°
• β: 103.328 ± 0.009°
• γ: 90°
• Cell volume: 25144 ± 16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2273
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.262
• Weighted residual factors for all reflections included in the refinement: 0.3335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No