Information card for entry 4113833

Structure parameters

• Common name: Bert*SnSnPh2Bert*.2C6H14
• Formula: C96 H136 Sn2
• Calculated formula: C96 H136 Sn2
• SMILES: [Sn]([Sn](c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)(c1ccccc1)c1ccccc1)c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCCCCC.C(CCC)CC
• Title of publication: A Reversible Valence Equilibrium in a Heavier Main Group Compound
• Authors of publication: Andrew D. Phillips; Shirley Hino; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7520 - 7521
• a: 12.5615 ± 0.0015 Å
• b: 17.893 ± 0.003 Å
• c: 21.802 ± 0.003 Å
• α: 109.107 ± 0.006°
• β: 90.28 ± 0.006°
• γ: 110.262 ± 0.005°
• Cell volume: 4305 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No