Information card for entry 7003945

Structure parameters

• Formula: C38 H30 Cl4 O2 P2 S4 W
• Calculated formula: C38 H30 Cl4 O2 P2 S4 W
• SMILES: [W]1234(Sc5c([P]3(c3c(S1)cccc3)c1ccccc1)cccc5)(Sc1c(P(=[O]4)(c3c(S2)cccc3)c2ccccc2)cccc1)=O.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: 12.1339 ± 0.0008 Å
• b: 12.4984 ± 0.0008 Å
• c: 13.9306 ± 0.0009 Å
• α: 91.291 ± 0.001°
• β: 102.895 ± 0.001°
• γ: 110.232 ± 0.001°
• Cell volume: 1920.8 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No