Information card for entry 4317511

Structure parameters

• Formula: C28 H30 Cl2 Fe P2 S4 W
• Calculated formula: C28 H30 Cl2 Fe P2 S4 W
• SMILES: [W]123([Fe](Cl)(Cl)(S1)S2)(=S)SCC[P]3(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.3708 ± 0.0005 Å
• b: 17.3605 ± 0.0005 Å
• c: 20.246 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3293.7 ± 0.3 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.531
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No