Information card for entry 7001695

Structure parameters

• Formula: C26 H32 Mo N2 O4
• Calculated formula: C26 H32 Mo N2 O4
• SMILES: [Mo]12(=O)(=O)(OC(=CC(=[N]1c1c(cccc1C)C)C)C)OC(=CC(=[N]2c1c(cccc1C)C)C)C
• 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: 11.762 ± 0.005 Å
• b: 14.486 ± 0.005 Å
• c: 15.238 ± 0.005 Å
• α: 90°
• β: 101.198 ± 0.005°
• γ: 90°
• Cell volume: 2546.9 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No