Information card for entry 7112853

Structure parameters

• Formula: C95 H282 Si40 Sn13
• Calculated formula: C95 H282 Si40 Sn13
• SMILES: [Sn]12([Sn]3([Sn]45([Sn]67([Sn]83[Sn]31([Sn]19([Sn]24[Sn]579[Sn]6831)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[Sn]1([Sn](=[Sn]1[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.C(CC)CC
• Title of publication: Sn[Si(SiMe3)3]3- and Sn3[Si(SiMe3)3]4: first insight into the mechanism of the disproportionation of a tin monohalide gives access to the shortest double bond of tin.
• Authors of publication: Schrenk, Claudio; Schnepf, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 6756 - 6758
• a: 15.351 ± 0.003 Å
• b: 43.305 ± 0.009 Å
• c: 15.351 ± 0.003 Å
• α: 90°
• β: 103.44 ± 0.03°
• γ: 90°
• Cell volume: 9925 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No