Information card for entry 4063468

Structure parameters

• Formula: C15 H24 Cl F6 Mo2 P S4
• Calculated formula: C15 H24 Cl F6 Mo2 P S4
• SMILES: C[S]1[Mo]2345678([cH]9[cH]2[cH]3[cH]4[cH]59)[S](C)[Mo]234518([cH]1[cH]2[cH]3[cH]4[cH]51)([S](C[S]6C)C)[Cl]7.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Carbon‒Sulfur and Carbon‒Halogen Bond Cleavage of Acyclic or Cyclic Thioethers, Thiophenes, and Dihaloalkanes with the Trithiolato-Bridged Cation [Mo2Cp2(μ-SMe)3(MeCN)2]+
• Authors of publication: Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 448 - 462
• a: 12.7338 ± 0.0003 Å
• b: 13.393 ± 0.0003 Å
• c: 13.9952 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2386.79 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No