Information card for entry 7001693

Structure parameters

• Common name: di(4-(phenylimino)-2-pentanonato-N,O)dioxo molybdenum
• Chemical name: di[4-(phenylimino)-2-pentanonato-N,O]dioxo molybdenum
• Formula: C22 H24 Mo N2 O4
• Calculated formula: C22 H24 Mo N2 O4
• SMILES: [Mo]12(=O)(=O)(OC(=CC(C)=[N]1c1ccccc1)C)OC(C)=CC(C)=[N]2c1ccccc1
• Title of publication: Oxo-molybdenum and oxo-tungsten complexes of Schiff bases relevant to molybdoenzymes
• Authors of publication: Lyashenko, Ganna; Saischek, Gerald; Judmaier, Martina E.; Volpe, Manuel; Baumgartner, Judith; Belaj, Ferdinand; Jancik, Vojtech; Herbst-Irmer, Regine; Mösch-Zanetti, Nadia C.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 29
• Pages of publication: 5655
• a: 11.249 ± 0.002 Å
• b: 9.8926 ± 0.0018 Å
• c: 19.152 ± 0.004 Å
• α: 90°
• β: 92.651 ± 0.017°
• γ: 90°
• Cell volume: 2129 ± 0.7 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No