Information card for entry 4346909

Structure parameters

• Common name: (4,6-di-tert-butyl-6-[(E)-({2-methyl-1-[(methylamino)carbonyl]-2-oxi- do-4-oxopentyl}imino)methyl]benzenolato-N,O,O',O")-dioxo-molybdenum(VI) acetonitrile solvate (1:1)
• Chemical name: (4,6-di-tert-butyl-6-[(E)-({2-methyl-1-[(methylamino)carbonyl]-2-oxi- do-4-oxopentyl}imino)methyl]benzenolato-N,O,O',O")-dioxo-molybdenum(VI) acetonitrile solvate (1:1)
• Formula: C28 H43 Mo N3 O6
• Calculated formula: C28 H43 Mo N3 O6
• 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: 22.3972 ± 0.0013 Å
• b: 7.9229 ± 0.0004 Å
• c: 34.2903 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6084.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No