Information card for entry 4083971

Structure parameters

• Formula: C88 H122 O Si2 Sn2
• Calculated formula: C88 H122 O Si2 Sn2
• SMILES: [Sn]1(c2cccc3cccc([Sn]1c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c23)c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.O([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes
• Authors of publication: Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3904
• a: 13.3504 ± 0.0004 Å
• b: 17.0668 ± 0.0005 Å
• c: 18.9247 ± 0.0005 Å
• α: 77.9082 ± 0.0007°
• β: 85.583 ± 0.0007°
• γ: 76.5304 ± 0.0008°
• Cell volume: 4098.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No