Information card for entry 4333450

Structure parameters

• Formula: C26 H35 Mo N O3 S Si
• Calculated formula: C26 H35 Mo N O3 S Si
• SMILES: [Mo](=S)(=O)(=O)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[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: 8.5965 ± 0.0008 Å
• b: 9.2168 ± 0.0009 Å
• c: 19.4188 ± 0.0018 Å
• α: 100.911 ± 0.002°
• β: 92.755 ± 0.002°
• γ: 113.094 ± 0.002°
• Cell volume: 1376.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No