Information card for entry 4071766

Structure parameters

• Formula: C32 H34 Mo2 N2 S2
• Calculated formula: C32 H34 Mo2 N2 S2
• SMILES: C[S]1[Mo]23456789%10[C](#[CH]2)[Mo]2%11%12%131%10([cH]1[cH]2[cH]%11[cH]%12[cH]%131)(=[C]=8N(c1c(cccc1C)C)C(=N\c1c(cccc1C)C)\[c]13[cH]7[cH]6[cH]5[cH]41)[S]9C
• 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: 8.4425 ± 0.0006 Å
• b: 11.7806 ± 0.0014 Å
• c: 14.4002 ± 0.0016 Å
• α: 100.234 ± 0.01°
• β: 95.882 ± 0.007°
• γ: 90.15 ± 0.007°
• Cell volume: 1401.7 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No