Information card for entry 2015034

Structure parameters

• Chemical name: {2-[(2,3-Dichlorophenyl)amino]benzoato-κO}di-μ~2~-ethoxo-octamethyldi- μ~3~-oxo-tetratin(IV)
• Formula: C38 H50 Cl4 N2 O8 Sn4
• Calculated formula: C38 H50 Cl4 N2 O8 Sn4
• SMILES: C[Sn]12([O]([Sn]3([O]1[Sn](OC(=O)c1c(cccc1)Nc1c(c(ccc1)Cl)Cl)([O]3CC)(C)C)(C)C)[Sn](OC(=O)c1c(cccc1)Nc1c(c(ccc1)Cl)Cl)([O]2CC)(C)C)C
• Title of publication: Bis{μ-2-[(2,3-dichlorophenyl)amino]benzoato-κ<i>O</i>}di-μ~2~-ethoxo-octamethyldi-μ~3~-oxo-tetratin(IV)
• Authors of publication: Kruszynski, Rafal; Bartczak, Tadeusz J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m439 - m441
• a: 14.0875 ± 0.0006 Å
• b: 9.7613 ± 0.0004 Å
• c: 17.5858 ± 0.0008 Å
• α: 90°
• β: 100.106 ± 0.003°
• γ: 90°
• Cell volume: 2380.74 ± 0.18 ų
• Cell temperature: 291 ± 0.3 K
• Ambient diffraction temperature: 291 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes