Information card for entry 4346908

Structure parameters

• Common name: {2,2'-[5-(anilinocarbonyl)-3-(2-anilino-2-oxoethyl)imi- dazolidine-2,4-diyl]diphenolato-O,O',O"}-dioxo-molybdenum(VI)
• Chemical name: {2,2'-[5-(anilinocarbonyl)-3-(2-anilino-2-oxoethyl)imi- dazolidine-2,4-diyl]diphenolato-O,O',O"}-dioxo-molybdenum(VI)
• Formula: C30 H26 Mo N4 O6
• Calculated formula: C30 H26 Mo N4 O6
• SMILES: [Mo]123(=O)(=O)Oc4c([C@H]5N[C@H](C(=O)Nc6ccccc6)[C@H]([N]15CC(=[O]2)Nc1ccccc1)c1c(O3)cccc1)cccc4.[Mo]123(=O)(=O)Oc4c([C@@H]5N[C@@H](C(=O)Nc6ccccc6)[C@@H]([N]15CC(=[O]2)Nc1ccccc1)c1c(O3)cccc1)cccc4
• 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: 18.3129 ± 0.0012 Å
• b: 7.2605 ± 0.0005 Å
• c: 19.9692 ± 0.0013 Å
• α: 90°
• β: 91.269 ± 0.003°
• γ: 90°
• Cell volume: 2654.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No