Information card for entry 4333448

Structure parameters

• Formula: C28 H48 Cl2 Mo2 N2 O3 S4
• Calculated formula: C28 H48 Cl2 Mo2 N2 O3 S4
• SMILES: c12ccccc1S[Mo](=O)(O[Mo]1(=O)(Sc3c(cccc3)S1)Cl)(S2)Cl.C(C)[N+](CC)(CC)CC.C(C)[N+](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: 8.35 ± 0.0017 Å
• b: 16.477 ± 0.003 Å
• c: 13.535 ± 0.003 Å
• α: 90°
• β: 104 ± 0.03°
• γ: 90°
• Cell volume: 1806.9 ± 0.7 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: 0.0684
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No