Information card for entry 4333447

Structure parameters

• Formula: C20 H39 N O3 S2 Si W
• Calculated formula: C20 H39 N O3 S2 Si W
• SMILES: [W]1(=O)(=O)(Sc2c(S1)cccc2)O[Si](C)(C)C(C)(C)C.[N+](CC)(CC)(CC)CC
• Title of publication: Silylation, Sulfidation, and Benzene-1,2-dithiolate Complexation Reactions of Oxo- and Oxosulfidomolybdates(VI) and -Tungstates(VI)
• Authors of publication: Wang, Jun-Jieh; Holm, R. H.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11156 - 11164
• a: 19.94 ± 0.004 Å
• b: 7.83 ± 0.0016 Å
• c: 34.29 ± 0.007 Å
• α: 90°
• β: 92.17 ± 0.03°
• γ: 90°
• Cell volume: 5349.9 ± 1.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0918
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No