Information card for entry 2219181

Structure parameters

• Chemical name: Octa-<i>n</i>-butyl-\ 1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>- tetrakis(-μ-2-hydroxybenzoato)-1:2κ^2^<i>O</i>:<i>O</i>;2:3κ^2^<i>O</i>: <i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>;1:4κ^2^<i>O</i>:<i>O</i>'-di- μ~3~-oxido-1:2:3κ^3^<i>O</i>:<i>O</i>:<i>O</i>; 1:3:4<i>k</i>^3^<i>O</i>:<i>O</i>:<i>O</i>-tetratin(IV)
• Formula: C60 H92 O14 Sn4
• Calculated formula: C60 H92 O14 Sn4
• SMILES: C(CCC)[Sn]1(CCCC)(OC(=[O][Sn]2(CCCC)([O]1[Sn]1(CCCC)([O]=C(O[Sn](CCCC)(CCCC)(OC(=O)c3c(O)cccc3)[O]21)c1c(O)cccc1)CCCC)CCCC)c1c(O)cccc1)OC(=O)c1c(O)cccc1
• Title of publication: Octa-<i>n</i>-butyl-1<i>{κ</i>}^2^<i>C</i>,2<i>{κ</i>}^2^<i>C</i>,3<i>{κ</i>}^2^<i>C</i>,4<i>{κ</i>}^2^<i>C</i>-tetrakis(<i>{μ</i>}-2-hydroxybenzoato)-1:2<i>{κ</i>}^2^<i>O</i>:<i>O</i>;2:3κ^2^<i>O</i>:<i>O</i>';3:4<i>{κ</i>}^2^<i>O</i>:<i>O</i>;1:4<i>{κ</i>}^2^<i>O</i>:<i>O</i>'-di-<i>{μ</i>}~3~-oxido-1:2:3<i>{κ</i>}^3^<i>O</i>:<i>O</i>:<i>O</i>;1:3:4<i>{κ</i>}^3^<i>O</i>:<i>O</i>:<i>O</i>-tetratin(IV)
• Authors of publication: Reisi, Reza; Siti Munirah, Shahirin; Misran, Misni; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1103
• a: 11.4549 ± 0.0002 Å
• b: 12.161 ± 0.0002 Å
• c: 13.4436 ± 0.0002 Å
• α: 106.3 ± 0.001°
• β: 92.532 ± 0.001°
• γ: 115.204 ± 0.001°
• Cell volume: 1597.18 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.022
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes