Information card for entry 4346910

Structure parameters

• Common name: (4,6-di-tert-butyl-2-{(E)-[2-(tert-butylamino)-1-([2-(tert-butylamino)- 2-oxoethyl](3,5-di-tert-butyl-2-oxidobenzyl)aminomethyl)-2-oxoethyl]iminome- thyl}benzenolato-N,N',O,O')-dioxo-molybdenum(VI) acetonitrile solvate (1:4)
• Chemical name: (4,6-di-tert-butyl-2-{(E)-[2-(tert-butylamino)-1-([2-(tert-butylamino)- 2-oxoethyl](3,5-di-tert-butyl-2-oxidobenzyl)aminomethyl)-2-oxoethyl]iminome- thyl}benzenolato-N,N',O,O')-dioxo-molybdenum(VI) acetonitrile solvate (1:4)
• Formula: C50 H78 Mo N8 O6
• Calculated formula: C50 H78 Mo N8 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: 12.6168 ± 0.0016 Å
• b: 15.1248 ± 0.0019 Å
• c: 16.204 ± 0.002 Å
• α: 76.347 ± 0.002°
• β: 73.9972 ± 0.0019°
• γ: 69.1633 ± 0.0018°
• Cell volume: 2745 ± 0.6 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: 0.0423
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No