Information card for entry 4114886

Structure parameters

• Common name: Sn3Ti(THME)2(ONep)4
• Formula: C30 H62 O10 Sn3 Ti
• Calculated formula: C30 H62 O10 Sn3 Ti
• SMILES: [Sn]123[O]4[Sn]5([O]6[Ti]78([O]([Sn]9([O]1CC(C)(C)C)[O]7CC(C[O]58)(C[O]29)C)CC(C4)(C6)C)(OCC(C)(C)C)OCC(C)(C)C)[O]3CC(C)(C)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: 17.174 ± 0.01 Å
• b: 18.681 ± 0.011 Å
• c: 13.09 ± 0.007 Å
• α: 90°
• β: 106.92 ± 0.01°
• γ: 90°
• Cell volume: 4018 ± 4 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• 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: 0.202
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No