Information card for entry 2204740

Structure parameters

• Chemical name: Bis(tetraphenylarsonium) tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV) acetone solvate
• Formula: C60 H46 As2 O S15 Sn
• Calculated formula: C60 H46 As2 O S15 Sn
• SMILES: [Sn]123(SC4=C(S1)SC(=S)S4)(SC1=C(S2)SC(=S)S1)SC1=C(S3)SC(=S)S1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Bis(tetraphenylarsonium) tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV) acetone solvate at 120K
• Authors of publication: Comerlato, Nadia M.; Ferreira, Glaucio B.; Howie, R. Alan; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1781 - m1783
• a: 11.2238 ± 0.0003 Å
• b: 14.7826 ± 0.0005 Å
• c: 19.9333 ± 0.0007 Å
• α: 99.08 ± 0.0012°
• β: 99.966 ± 0.002°
• γ: 101.187 ± 0.002°
• Cell volume: 3132.16 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes