Information card for entry 7001692

Structure parameters

• Formula: C34 H48 Mo N2 O4
• Calculated formula: C34 H48 Mo N2 O4
• SMILES: [Mo]12([N](=C(C=C(O2)C)C)c2c(cccc2C(C)C)C(C)C)([N](=C(C=C(O1)C)C)c1c(cccc1C(C)C)C(C)C)(=O)=O
• 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: 11.691 ± 0.002 Å
• b: 16.641 ± 0.003 Å
• c: 16.834 ± 0.003 Å
• α: 90°
• β: 100.48 ± 0.03°
• γ: 90°
• Cell volume: 3220.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No