Information card for entry 2229271

Structure parameters

• Chemical name: Bis(μ-3,5-difluorobenzoato)bis[(3,5-difluorobenzoato)dimethyltin(IV)]
• Formula: C32 H24 F8 O8 Sn2
• Calculated formula: C32 H24 F8 O8 Sn2
• SMILES: [Sn]123(C)(C)([O]=C(O1)c1cc(cc(c1)F)F)[O]=C(c1cc(cc(c1)F)F)[O]2[Sn]12(C)(C)([O]=C(O1)c1cc(cc(c1)F)F)[O]=C(c1cc(cc(c1)F)F)[O]23
• Title of publication: Bis(μ-3,5-difluorobenzoato)bis[(3,5-difluorobenzoato)dimethyltin(IV)]
• Authors of publication: Liu, Hong; Yin, Han-Dong; Li, Jing; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m148
• a: 16.4635 ± 0.0015 Å
• b: 7.5836 ± 0.0008 Å
• c: 15.1123 ± 0.0014 Å
• α: 90°
• β: 115.68 ± 0.001°
• γ: 90°
• Cell volume: 1700.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes