Information card for entry 7206027

Structure parameters

• Common name: 1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate
• Chemical name: 1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate
• Formula: C36 H55 F7 N4 O4 Si
• Calculated formula: C36 H52.276 F7 N4 O4 Si
• Title of publication: Tetrabenzylcyclen as a receptor for fluoride
• Authors of publication: Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3682
• a: 37.0414 ± 0.0014 Å
• b: 11.1521 ± 0.0004 Å
• c: 19.2636 ± 0.0007 Å
• α: 90°
• β: 100.044 ± 0.004°
• γ: 90°
• Cell volume: 7835.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No