Information card for entry 2017288

Structure parameters

• Chemical name: Bis(tetraphenylphosphonium) (hexasulfido-2κ^2^<i>S</i>^1^,<i>S</i>^6^)di- μ-sulfido-disulfido-1κ^2^<i>S</i>-tungsten(VI)zinc(II) acetone solvate
• Formula: C51 H46 O P2 S10 W Zn
• Calculated formula: C51 H46 O P2 S10 W Zn
• SMILES: [W]1(S[Zn]2(S1)SSSSSS2)(=S)=S.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Bis(tetraphenylphosphonium) (hexasulfido-2κ^2^<i>S</i>^1^,<i>S</i>^6^)di-μ-sulfido-disulfido-1κ^2^<i>S</i>-tungsten(VI)zinc(II) acetone solvate
• Authors of publication: Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Hyvadi, Reza
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m331 - m332
• a: 31.212 ± 0.003 Å
• b: 11.3211 ± 0.0009 Å
• c: 15.114 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5340.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes