Information card for entry 2217893

Structure parameters

• Chemical name: Bis(tetraphenylphosphonium) tetrasulfidotungstate
• Formula: C48 H40 P2 S4 W
• Calculated formula: C48 H40 P2 S4 W
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.S=[W](=S)([S-])[S-].c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(tetraphenylphosphonium) tetrasulfidotungstate(VI)
• Authors of publication: Leyva Bailen, Patricia; Powell, Anthony V.; Vaqueiro, Paz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m574
• a: 11.1069 ± 0.0004 Å
• b: 19.4557 ± 0.0006 Å
• c: 20.2373 ± 0.0006 Å
• α: 90°
• β: 91.242 ± 0.002°
• γ: 90°
• Cell volume: 4372.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0538
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections included in the refinement: 0.0312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes