Information card for entry 2241493

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetrabromidotin(IV)]-μ-1,4-dithiane-κ^2^<i>S</i>:<i>S</i>']
• Formula: C4 H8 Br4 S2 Sn
• Calculated formula: C4 H8 Br4 S2 Sn
• SMILES: [Sn](Br)(Br)(Br)(Br)([S]1CC[S](CC1)[Sn](Br)(Br)(Br)Br)[S]1CCSCC1
• Title of publication: Crystal structure of a one-dimensional coordination polymer of tin(IV) bromide with 1,4-dithiane
• Authors of publication: Reuter, Hans; Röwekamp-Krugley, Natalia; Imwalle, Marius; Keil, Simona; Reichelt, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m267 - m268
• a: 7.1033 ± 0.0004 Å
• b: 12.0526 ± 0.0008 Å
• c: 7.4032 ± 0.0005 Å
• α: 90°
• β: 112.144 ± 0.002°
• γ: 90°
• Cell volume: 587.06 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes