Information card for entry 7005616

Structure parameters

• Common name: bis(1,4,7-trioxa-10-azoniacyclododecane) bis(aquapentafluorosilicate) trihydrate
• Chemical name: bis(1,4,7-trioxa-10-azoniacyclododecane) bis(aquapentafluorosilicate) trihydrate
• Formula: C16 H46 F10 N2 O11 Si2
• Calculated formula: C16 H44 F10 N2 O10.25 Si2
• Title of publication: Two new "onium" fluorosilicates, the products of interaction of fluorosilicic acid with 12-membered macrocycles: structures and spectroscopic properties.
• Authors of publication: Gelmboldt, Vladimir O.; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Koroeva, Larisa V.; Ennan, Alim A.; Basok, Stepan S.; Shova, Sergiu; Kählig, Hanspeter; Arion, Vladimir B.; Keppler, Bernhard K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2915 - 2924
• a: 14.8889 ± 0.0007 Å
• b: 9.3635 ± 0.0005 Å
• c: 20.3291 ± 0.0009 Å
• α: 90°
• β: 93.9 ± 0.003°
• γ: 90°
• Cell volume: 2827.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No