Information card for entry 4504568

Structure parameters

• Formula: C78 H108 O18 Sn6
• Calculated formula: C78 H108 O18 Sn6
• SMILES: C([Sn]1234OC(=[O][Sn]567([O]1[Sn]18(CCCC)(OC(=[O]2)c2c(cccc2C)C)[O]=C(O[Sn]29(CCCC)([O]=C(O[Sn]%10%11(CCCC)([O]=C(O[Sn](CCCC)([O]=C(O7)c7c(cccc7C)C)([O]5%11)([O]2%10)[O]46)c2c(cccc2C)C)[O]89)c2c(cccc2C)C)[O]31)c1c(cccc1C)C)CCCC)c1c(C)cccc1C)CCC
• Title of publication: Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums
• Authors of publication: Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 267
• a: 12.79 ± 0.005 Å
• b: 12.802 ± 0.005 Å
• c: 14.324 ± 0.006 Å
• α: 110.687 ± 0.007°
• β: 111.86 ± 0.006°
• γ: 97.688 ± 0.007°
• Cell volume: 1939 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No