Information card for entry 2014417

Structure parameters

• Common name: Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI)
• Chemical name: Dichloro(dimethoxyethano)bis(para-toluenesulfonimino-N)molybdenum(VI)
• Formula: C18 H24 Cl2 Mo N2 O6 S2
• Calculated formula: C18 H24 Cl2 Mo N2 O6 S2
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N=[Mo]1(Cl)(Cl)([O](C)CC[O]1C)=NS(=O)(=O)c1ccc(cc1)C
• Title of publication: Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI), a versatile nitrene transfer reagent
• Authors of publication: Rufanov, Konstantin A.; Ziemer, Burkhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m54 - m55
• a: 11.895 ± 0.002 Å
• b: 13.124 ± 0.002 Å
• c: 15.564 ± 0.003 Å
• α: 90°
• β: 104.66 ± 0.02°
• γ: 90°
• Cell volume: 2350.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes