Information card for entry 2208921

Structure parameters

• Common name: Antimony trifluoride [1.5]dibenzothia-18-crown-6 clathrate
• Chemical name: 6,7,9,10,12,13,15,16- octahydrodibenzo[n,q][1,4,7,10,13,16]pentaoxathiacyclooctadecine antimony(III) trifluoride clathrate
• Formula: C20 H24 F3 O5 S Sb
• Calculated formula: C20 H24 F3 O5 S Sb
• Title of publication: The 1:1 adduct of antimony trifluoride with [1.5]dibenzothia-18-crown-6
• Authors of publication: Fonari, Marina S.; Ganin, Eduard V.; Gelmboldt, Vladimir O.; Lipkowski, Janusz; Kotlyar, Sergei A.; Kamalov, Gerbert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1021 - m1023
• a: 10.598 ± 0.0002 Å
• b: 16.293 ± 0.0002 Å
• c: 13.286 ± 0.0002 Å
• α: 90°
• β: 111.376 ± 0.0009°
• γ: 90°
• Cell volume: 2136.32 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes