Information card for entry 4333449

Structure parameters

• Formula: C25 H41 Cl2 Mo N O4 Si
• Calculated formula: C25 H41 Cl2 Mo N O4 Si
• SMILES: [Mo](=O)(=O)(=O)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1.[N+](CC)(CC)(CC)CC.C(Cl)Cl
• 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: 9.83 ± 0.002 Å
• b: 10.66 ± 0.002 Å
• c: 15.92 ± 0.003 Å
• α: 107.21 ± 0.03°
• β: 103.2 ± 0.03°
• γ: 93.31 ± 0.03°
• Cell volume: 1537.3 ± 0.6 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: 0.0349
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No