Information card for entry 4302206

Structure parameters

• Common name: [Mo~2~(NTo)~2~(S~2~P(OEt)~2~)~2~(O~2~CMe)(SBn)(SOMe)]^+^ CF~3~SO~3~^-^
• Chemical name: (μ-acetato)(μ-benzyl thiolato)(μ-ethoxythiolato)bis(O,O'-diethyl dithiophosphato)bis(p-tolylimido)dimolybdenum(V) trifluoromethanesulfonate
• Formula: C34 H49 F3 Mo2 N2 O10 P2 S7
• Calculated formula: C34 H39 F3 Mo2 N2 O10 P2 S7
• 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: 18.917 ± 0.004 Å
• b: 10.9062 ± 0.0018 Å
• c: 24.231 ± 0.004 Å
• α: 90°
• β: 104.856 ± 0.004°
• γ: 90°
• Cell volume: 4832.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No