Information card for entry 7010602

Structure parameters

• Formula: C15 H23 Mo2 N O S3
• Calculated formula: C15 H23 Mo2 N O S3
• SMILES: [Mo]12345678([Mo]9%10%11%12([S]1C)([S]2C)([S]3C)(NC(=[O]4)C)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Acetonitrile hydration versus molybdenum oxidation at the sulfur-rich bimetallic site {MoIII2Cp2(μ-SMe)3}+. Crystal structure of the μ-η1 ∶ η1-amidato complex [Mo2Cp2(μ-MeCONH)(μ-SMe)3]
• Authors of publication: Schollhammer, Philippe; Le Hénanf, Marc; Le Roy-Le Floch, Christine; Pétillon, François Y.; Talarmin, Jean; Muir, Kenneth W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 10
• Pages of publication: 1573
• a: 15.79 ± 0.006 Å
• b: 13.841 ± 0.005 Å
• c: 16.717 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3653 ± 3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No