Information card for entry 4317510

Structure parameters

• Formula: C42 H43 Br Cu2 N P3 S4 W
• Calculated formula: C42 H43 Br Cu2 N P3 S4 W
• SMILES: [W]12345([Cu]6(Br)([Cu]1([S]36)(S4)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(S2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)SCC[P]5(C)C.N#CC
• 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: 17.845 ± 0.001 Å
• b: 10.0916 ± 0.0001 Å
• c: 25.606 ± 0.0006 Å
• α: 90°
• β: 101.794 ± 0.0007°
• γ: 90°
• Cell volume: 4513.9 ± 0.3 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.585
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No