Information card for entry 4001667

Structure parameters

• Formula: C13 H52 Li4 O13 S4 Sn
• Calculated formula: C13 H52 Li4 O13 S4 Sn
• SMILES: [S-][Sn]([S-])([S-])[S-].[Li+].[Li+].[Li+].[Li+].OC.OC.OC.OC.OC.OC.OC.OC.OC.OC.OC.OC.OC
• Title of publication: New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4
• Authors of publication: Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2211
• a: 10.849 ± 0.002 Å
• b: 23.029 ± 0.005 Å
• c: 14.61 ± 0.003 Å
• α: 90°
• β: 98.46 ± 0.03°
• γ: 90°
• Cell volume: 3610.5 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No