Information card for entry 4311149

Structure parameters

• Formula: C44 H65 Mo N3 O3
• Calculated formula: C44 H65 Mo N3 O3
• SMILES: [Mo]123(Oc4c(C=[N]2CCC[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)(=O)=NC(C)(C)C.c1(ccccc1)C
• Title of publication: Synthesis, Structure, and Catalytic Oxidation Chemistry from the First Oxo-Imido Schiff Base Metal Complexes
• Authors of publication: Ramkrishna Ramnauth; Salih Al-Juaid; Majid Motevalli; Bernardetta C. Parkin; Alice C. Sullivan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4072 - 4079
• a: 25.299 ± 0.009 Å
• b: 11.798 ± 0.005 Å
• c: 14.302 ± 0.001 Å
• α: 90°
• β: 91.28 ± 0.05°
• γ: 90°
• Cell volume: 4268 ± 2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No