Information card for entry 2212931

Structure parameters

• Chemical name: Bis(tetraphenylphosphonium) tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV)
• Formula: C57 H40 P2 S15 Sn
• Calculated formula: C57 H40 P2 S15 Sn
• SMILES: C1(=S)SC2=C(S[Sn]34(SC5=C(S4)SC(=S)S5)(SC4=C(SC(=S)S4)S3)S2)S1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(tetraphenylphosphonium) tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV) at 293K
• Authors of publication: Wang, Yan-Ling; Wang, Yong-Jin; Yao, Jun; Zhao, Xiu-Tai; Wang, Rui-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1147 - m1148
• a: 24.7352 ± 0.0006 Å
• b: 14.7677 ± 0.0004 Å
• c: 19.621 ± 0.0004 Å
• α: 90°
• β: 123.532 ± 0.002°
• γ: 90°
• Cell volume: 5974.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes