Information card for entry 4063956

Structure parameters

• Common name: Mo2Cp2(μ-Cl)2(μ-SMe)2
• Formula: C12 H16 Cl2 Mo2 S2
• Calculated formula: C12 H16 Cl2 Mo2 S2
• SMILES: C[S]1[Mo]2345678([cH]9[cH]5[cH]4[cH]3[cH]29)[S](C)[Mo]234518([cH]1[cH]5[cH]4[cH]3[cH]21)([Cl]6)[Cl]7
• Title of publication: Thermal Generation and Structures of the Unsaturated Doubly Bridged Complex [Mo2Cp2Cl2(μ-SMe)2] and Its Quadruply Bridged Isomer [Mo2Cp2(μ-Cl)2(μ-SMe)2]
• Authors of publication: Ojo, Wilfried-Solo; McGrady, John E.; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 649
• a: 7.7777 ± 0.0007 Å
• b: 13.2903 ± 0.0012 Å
• c: 15.242 ± 0.0013 Å
• α: 95.693 ± 0.007°
• β: 97.602 ± 0.007°
• γ: 90.944 ± 0.008°
• Cell volume: 1553.3 ± 0.2 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: 0.1028
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No