Information card for entry 1550917

Structure parameters

• Formula: O4 S20 Sn10
• Calculated formula: O4 S20 Sn10
• SMILES: [Sn]12(=S)S[Sn]3456[S]7[Sn]89%10%11[S]%12[Sn]%13%14(S[Sn](=S)(S3)S9)(S[Sn]3(=S)S[Sn]9%15([S]%16[Sn]%177(S1)(S[Sn](=S)(S8)S[Sn]%12%16(S3)([O]%14%15)[O]%11%17)[O]69)(S2)[S]4%13)[O]5%10
• 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: 27.248 ± 0.003 Å
• b: 27.248 ± 0.003 Å
• c: 27.248 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20230 ± 4 ų
• Cell temperature: 100 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: 0.0887
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No