Information card for entry 7003944

Structure parameters

• Formula: C50 H42 P2 S4 W
• Calculated formula: C50 H42 P2 S4 W
• SMILES: c12c(S[W]345([P]1(c1c(cccc1)S3)c1ccccc1)[P](c1c(cccc1)S4)(c1c(cccc1)S5)c1ccccc1)cccc2.c1(ccccc1)C.c1(ccccc1)C
• 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: 26.255 ± 0.003 Å
• b: 10.7671 ± 0.001 Å
• c: 20.444 ± 0.002 Å
• α: 90°
• β: 129.831 ± 0.003°
• γ: 90°
• Cell volume: 4438.2 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No