Information card for entry 4333457

Structure parameters

• Formula: C30 H43 Mo N O3 S2 Si
• Calculated formula: C30 H43 Mo N O3 S2 Si
• SMILES: [Mo]1(=O)(=O)(Sc2c(S1)cccc2)O[Si](C(C)(C)C)(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: 23.374 ± 0.006 Å
• b: 8.965 ± 0.002 Å
• c: 15.057 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3155.2 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No