Information card for entry 4302207

Structure parameters

• Common name: proximal [Mo~2~(NTo)~2~(S~2~P(OEt)~2~)~2~(O~2~CMe)S(SOEt)]
• Chemical name: (μ-acetato)(μ-ethoxythiolato)(μ-sulfido)bis(O,O'-diethyl dithiophosphato)bis(p-tolylimido)dimolybdenum(V), E isomer
• Formula: C26 H42 Mo2 N2 O7 P2 S6
• Calculated formula: C26 H42 Mo2 N2 O7 P2 S6
• Title of publication: Alkylation of a Dimolybdenum SO Bridge, Subsequent Reactions, and Characterization of the Thioperoxide Bridge
• Authors of publication: Chi Minh Tuong; Whitney K. Hammons; Ashley L. Howarth; Kelly E. Lutz; Ackim D. Maduvu; Laura B. Haysley; Brian R. T. Allred; Lenore K. Hoyt; Mark S. Mashuta; Mark E. Noble
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5027 - 5038
• a: 20.448 ± 0.002 Å
• b: 19.771 ± 0.002 Å
• c: 9.4698 ± 0.001 Å
• α: 90°
• β: 97.819 ± 0.002°
• γ: 90°
• Cell volume: 3792.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.081
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No