Information card for entry 2208604

Structure parameters

• Chemical name: Octabutyl-1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C-di-μ~2~-3,5-dinitrobenzoato- 1:2κ^2^O:O';3:4κ^2^O:O'-bis(3,5-dinitrobenzoato)-1κO,4κO-di-μ~3~-oxo- 1:2:3κ^3^O:O:O;2:3:4κ^3^O:O:O-tetratin(IV)
• Formula: C60 H84 N8 O26 Sn4
• Calculated formula: C60 H84 N8 O26 Sn4
• SMILES: C1(=[O][Sn](CCCC)([O]2[Sn](O1)(CCCC)(CCCC)[O]1[Sn]([O]=C(c3cc(cc(c3)N(=O)=O)N(=O)=O)O[Sn]21(CCCC)CCCC)(OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)(CCCC)CCCC)(OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)CCCC)c1cc(cc(c1)N(=O)=O)N(=O)=O
• Title of publication: Octabutyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~2~-3,5-dinitrobenzoato-1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>'-bis(3,5-dinitrobenzoato)-1κ<i>O</i>,4κ<i>O</i>-di-μ~3~-oxo-1:2:3κ^3^<i>O</i>:<i>O</i>:<i>O</i>;2:3:4κ^3^<i>O</i>:<i>O</i>:<i>O</i>-tetratin(IV)
• Authors of publication: Fa-Hui Li; Han-Dong Yin; Zhong-Jun Gao; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m788 - m790
• a: 10.705 ± 0.002 Å
• b: 13.333 ± 0.003 Å
• c: 14.36 ± 0.003 Å
• α: 68.892 ± 0.003°
• β: 78.297 ± 0.003°
• γ: 80.285 ± 0.003°
• Cell volume: 1862 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes