Information card for entry 7104043

Structure parameters

• Formula: C44 H26 F18 O6 Sn2
• Calculated formula: C44 H26 F18 O6 Sn2
• SMILES: c1(ccccc1)[Sn]1(c2ccccc2)([OH][Sn](c2ccccc2)(c2ccccc2)([OH]1)OC(=O)c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F)OC(=O)c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: First example of a Sn‒C bond cleaved product in the reaction of Ph3SnOSnPh3 with carboxylic acids. 3D-Supramolecular network formation in the X-ray crystal structure of [Ph2Sn(OH)OC(O)(Rf)]2, Rf = 2,4,6-(CF3)3C6H2
• Authors of publication: Chandrasekhar, Vadapalli; Nagendran, Selvarajan; Gopal, Kandasamy; Steiner, Alexander; Zacchini, Stefano
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 862 - 863
• a: 14.2793 ± 0.0006 Å
• b: 8.4503 ± 0.0004 Å
• c: 19.1407 ± 0.0008 Å
• α: 90°
• β: 102.737 ± 0.001°
• γ: 90°
• Cell volume: 2252.77 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0225
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No