Information card for entry 1550918

Structure parameters

• Formula: O4 S20 Sn10
• Calculated formula: O4 S20 Sn10
• SMILES: [Sn]123(=S)S[Sn]4567[O]83[Sn]39%10([S]6[Sn]6%11%12%13S[Sn]%14(S4)(=S)S[Sn]4%15%16([O]7%12%14)[S]5[Sn]578([O]8%16[Sn](S5)(=S)(S%15)S[Sn]58([S]%114)([S]97)S[Sn](S3)(S6)(=S)[O]%10%135)S2)S1
• Title of publication: Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles
• Authors of publication: Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 73.616 ± 0.0017 Å
• b: 73.616 ± 0.0017 Å
• c: 73.616 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 398948 ± 16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.643
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No