Information card for entry 4317509

Structure parameters

• Formula: C42 H42 O P2 S4 W
• Calculated formula: C42 H42 O P2 S4 W
• SMILES: [W]1(=S)(=S)(=S)SCC[P]1(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Trithiotungsten(VI) Complexes Having Phosphine-Thiolate Hybrid Ligands: Synthesis and Cluster Forming Reactions with CuBr, FeCl2, and [Fe(CH3CN)6](ClO4)2
• Authors of publication: Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 513 - 520
• a: 11.034 ± 0.003 Å
• b: 11.172 ± 0.002 Å
• c: 18.354 ± 0.004 Å
• α: 80.07 ± 0.002°
• β: 76.363 ± 0.002°
• γ: 63.973 ± 0.002°
• Cell volume: 1969.6 ± 0.8 ų
• Cell temperature: 173.2 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 significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 2.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No