Information card for entry 2311789

Structure parameters

• Common name: tren-SnS-1
• Formula: S28 Sn12
• Calculated formula: S28 Sn12
• Title of publication: The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.
• Authors of publication: Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 931 - 940
• a: 13.2748 ± 0.0004 Å
• b: 13.2748 ± 0.0004 Å
• c: 19.1521 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2922.83 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No