Information card for entry 7003947

Structure parameters

• Formula: C56 H40 B Cl4 F4 P3 S9 W2
• Calculated formula: C56 H40 B Cl4 F4 P3 S9 W2
• SMILES: [W]12345([S]6[W]789%10%11([S]3c3c([P]%11(c%11c6cccc%11)c6c(S8)cccc6)cccc3)[S]5c3c([P]7(c5c(S9)cccc5)c5c(S%10)cccc5)cccc3)Sc3c([P]4(c4c(S1)cccc4)c1c(S2)cccc1)cccc3.[B](F)(F)(F)[F-].ClCCl.ClCCl
• Title of publication: Tungsten phosphanylarylthiolato complexes [W{PhP(2-SC6H4)2-κ3S,S′,P}2] and [W{P(2-SC6H4)3-κ4S,S′,S″,P}2]: Synthesis, structures and redox chemistry
• Authors of publication: Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminita; Hey-Hawkins, Evamarie
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4639
• a: 14.2601 ± 0.0015 Å
• b: 14.6295 ± 0.0015 Å
• c: 15.178 ± 0.0017 Å
• α: 72.088 ± 0.012°
• β: 81.358 ± 0.013°
• γ: 74.814 ± 0.012°
• Cell volume: 2899.3 ± 0.6 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 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 all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.636
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No