Information card for entry 4317513

Structure parameters

• Formula: C28 H40 Fe4 N4 O4 P4 S16 W4
• Calculated formula: C28 H40 Fe4 N4 O4 P4 S16 W4
• SMILES: [W]12345([Fe]678([W]9%10%11([Fe]%12%13([W]%14%15%16([Fe]%17%18([W]%19%20%21([Fe]1(S2)([S]36)([S]%18%19)S%20)(SCC[P]%21(C)C)S%17)([S]%13%14)S%15)(SCC[P]%16(C)C)S%12)([S]89)S%10)(SCC[P]%11(C)C)S7)S4)SCC[P]5(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• 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: 14.994 ± 0.002 Å
• b: 13.515 ± 0.001 Å
• c: 17.812 ± 0.003 Å
• α: 80.655 ± 0.002°
• β: 99.003 ± 0.001°
• γ: 113.025 ± 0.002°
• Cell volume: 3260.6 ± 0.7 ų
• Cell temperature: 297.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.687
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No