Information card for entry 4114874

Structure parameters

• Common name: [Sn(THME)2]2 . (THF)solvent
• Formula: C12 H22 O6.5 Sn3
• Calculated formula: C10 H18 O6 Sn3
• SMILES: [Sn]123[O]4[Sn]56[O]7[Sn]8([O]1CC(C4)(C7)C)[O]3CC(C[O]25)(C[O]68)C
• Title of publication: Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters
• Authors of publication: Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6904 - 6913
• a: 12.3788 ± 0.0019 Å
• b: 22.642 ± 0.003 Å
• c: 25.337 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7101.5 ± 1.8 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No