Information card for entry 4316611

Structure parameters

• Formula: C30 H41 Mo N3 O3
• Calculated formula: C30 H41 Mo N3 O3
• SMILES: [Mo]12([N](c3c(cccc3C)C)=C(C)C=C(O1)C)([N](c1c(cccc1C)C)=C(C=C(O2)C)C)(=NC(C)(C)C)=O
• Title of publication: Replacement of an Oxo by an Imido Group in Oxotransferase Model Compounds: Influence on the Oxygen Atom Transfer
• Authors of publication: Nadia C. Mösch-Zanetti; Dietmar Wurm; Manuel Volpe; Ganna Lyashenko; Bastian Harum; Ferdinand Belaj; Judith Baumgartner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8914 - 8921
• a: 9.992 ± 0.002 Å
• b: 11.645 ± 0.002 Å
• c: 13.35 ± 0.003 Å
• α: 89.34 ± 0.03°
• β: 85.9 ± 0.03°
• γ: 73.58 ± 0.03°
• Cell volume: 1486.1 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No