Information card for entry 4069888

Structure parameters

• Common name: organotin sulfonate
• Formula: C20 H34 F6 N2 O12 S2 Sn
• Calculated formula: C20 H34 F6 N2 O12 S2 Sn
• Title of publication: A Pentahydrated Diorganotin Cation. Cocrystallization of [{n-Bu2Sn(H2O)5}][CF3SO3]2and [{n-Bu2Sn(BPDO-II)2(H2O)2}][CF3SO3]2
• Authors of publication: Chandrasekhar, Vadapalli; Singh, Puja
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 4974
• a: 9.122 ± 0.005 Å
• b: 14.892 ± 0.005 Å
• c: 45.691 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.835 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6199 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No