Information card for entry 4346907

Structure parameters

• Common name: [2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O"]-dioxo-molybdenum(VI) heptane methanol solvate (2:1:4)
• Chemical name: [2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O"]-dioxo-molybdenum(VI) heptane methanol solvate (2:1:4)
• Formula: C63 H100 Mo2 N8 O16
• Calculated formula: C63 H100 Mo2 N8 O16
• Title of publication: Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center.
• Authors of publication: Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11969 - 11976
• a: 20.5952 ± 0.001 Å
• b: 13.0143 ± 0.0006 Å
• c: 26.4203 ± 0.0012 Å
• α: 90°
• β: 94.0172 ± 0.0008°
• γ: 90°
• Cell volume: 7064.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No