Information card for entry 4346911

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) acetonitrile solvate (8:15)
• 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) acetonitrile solvate (8:15)
• Formula: C238 H317 Mo8 N47 O48
• Calculated formula: C238 H317 Mo8 N47 O48
• 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: 13.845 ± 0.0008 Å
• b: 20.9775 ± 0.0012 Å
• c: 23.7967 ± 0.0014 Å
• α: 73.537 ± 0.002°
• β: 83.128 ± 0.003°
• γ: 89.909 ± 0.002°
• Cell volume: 6576.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1127
• 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: Yes
• Has Fobs: No