Information card for entry 1550919

Structure parameters

• Formula: C3 H9 O4 S20 Sn10
• Calculated formula: C3 H9 O4 S20 Sn10
• 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: 18.9995 ± 0.0007 Å
• b: 18.9995 ± 0.0007 Å
• c: 31.8469 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9955.9 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No