Information card for entry 7121061

Structure parameters

• Chemical name: Trichloro-(1,4,7,10,13,16-hexaoxa-cyclononadec-18-ylmethyl)-stannane
• Formula: C14 H31 Cl3 O8 Sn
• Calculated formula: C14 H31 Cl3 O8 Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)([OH2])[O]2CC(C1)COCCOCCOCCOCCOCC2.O
• Title of publication: Interplay of Lewis acidity, intramolecular O→Sn interactions and selectivity: organotin-functionalized crown ethers as ditopic hosts for sodium and potassium halides.
• Authors of publication: Tagne Kuate, Alain Charly; Naseer, Muhammad Moazzam; Lutter, Michael; Jurkschat, Klaus
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 739 - 742
• a: 7.1523 ± 0.0015 Å
• b: 10.2096 ± 0.0018 Å
• c: 16.569 ± 0.004 Å
• α: 72.642 ± 0.011°
• β: 80.828 ± 0.006°
• γ: 79.071 ± 0.012°
• Cell volume: 1127 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1553
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.42
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No