Information card for entry 7004757

Structure parameters

• Formula: C48 H51 Cl3 N4 S6 Sn3
• Calculated formula: C48 H51 Cl3 N4 S6 Sn3
• SMILES: C(CN(C1=[S][Sn](c2ccccc2)(c2ccccc2)(Cl)S1)C)N(CCN(C1=[S][Sn](c2ccccc2)(c2ccccc2)(Cl)S1)C)CCN(C1=[S][Sn](c2ccccc2)(c2ccccc2)(Cl)S1)C
• Title of publication: Self-assembly of diphenyltin(iv) and tris-dithiocarbamate ligands to racemic trinuclear cavitands and capsules
• Authors of publication: Reyes-Martínez, Reyna; García, Patricia García y; López-Cardoso, Marcela; Höpfl, Herbert; Tlahuext, Hugo
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6624 - 6627
• a: 10.0012 ± 0.0006 Å
• b: 17.2313 ± 0.001 Å
• c: 18.2621 ± 0.001 Å
• α: 115.029 ± 0.001°
• β: 103.792 ± 0.001°
• γ: 90.019 ± 0.001°
• Cell volume: 2751 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No