Information card for entry 4333905

Structure parameters

• Formula: C35 H32 N2 S4 W
• Calculated formula: C35 H32 N2 S4 W
• SMILES: [W]1234(Sc5c(N3c3c(S1)cc(cc3)C)ccc(c5)C)Sc1c(N4c3c(S2)cc(cc3)C)ccc(c1)C.c1(ccccc1)C
• Title of publication: Synthesis and Characterization of a Redox-Active Bis(thiophenolato)amide Ligand, [SNS]3-, and the Homoleptic Tungsten Complexes, W[SNS]2 and W[ONO]2
• Authors of publication: David W. Shaffer; Géza Szigethy; Joseph W. Ziller; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2110 - 2118
• a: 19.7206 ± 0.0006 Å
• b: 10.6756 ± 0.0003 Å
• c: 15.2817 ± 0.0005 Å
• α: 90°
• β: 107.203 ± 0.0003°
• γ: 90°
• Cell volume: 3073.32 ± 0.16 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No