Information card for entry 2215970

Structure parameters

• Chemical name: Octabenzyldi-μ~2~-methanolato-di-μ~3~-oxido-bis(p- toluenesulfonato)tetratin(IV)
• Formula: C72 H76 O10 S2 Sn4
• Calculated formula: C72 H76 O10 S2 Sn4
• SMILES: c1cccc(c1)C[Sn]12([O](C)[Sn]([O]1[Sn]1(Cc3ccccc3)([O](C)[Sn]([O]21)(OS(=O)(=O)c1ccc(cc1)C)(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)(OS(=O)(=O)c1ccc(cc1)C)(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Octabenzyldi-μ~2~-methanolato-di-μ~3~-oxido-bis(<i>p</i>-toluenesulfonato)tetratin(IV)
• Authors of publication: Shun-Li Li; Ting-Ting Han; Jin Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2865 - m2865
• a: 11.52 ± 0.005 Å
• b: 11.302 ± 0.004 Å
• c: 26.219 ± 0.011 Å
• α: 90°
• β: 99.409 ± 0.001°
• γ: 90°
• Cell volume: 3368 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes