Information card for entry 4071770

Structure parameters

• Formula: C15 H20 Cl2 Mo2 O3 S3
• Calculated formula: C15 H20 Cl2 Mo2 O3 S3
• SMILES: C[S]1[Mo]234567(C#[O])([cH]8[cH]2[cH]3[cH]4[cH]58)[S](CCl)[Mo]234517(C#[O])([cH]1[cH]5[cH]4[cH]3[cH]21)[S]6C.[Cl-].O
• 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: 10.8247 ± 0.0007 Å
• b: 12.9834 ± 0.0005 Å
• c: 16.0843 ± 0.001 Å
• α: 90°
• β: 113.652 ± 0.007°
• γ: 90°
• Cell volume: 2070.6 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No