Information card for entry 4071765

Structure parameters

• Formula: C21 H25 Mo2 N S4
• Calculated formula: C21 H25 Mo2 N S4
• SMILES: C[S]1[Mo]2345678([cH]9[cH]2[cH]3[cH]4[cH]59)[S]2C([S]6[Mo]3456182([cH]1[cH]3[cH]4[cH]5[cH]61)[S]7C)=Nc1c(cccc1C)C
• Title of publication: C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN)
• Authors of publication: Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4207
• a: 9.8972 ± 0.0008 Å
• b: 12.5566 ± 0.0007 Å
• c: 9.3093 ± 0.0007 Å
• α: 90°
• β: 90.261 ± 0.007°
• γ: 90°
• Cell volume: 1156.9 ± 0.14 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No