Information card for entry 7043033

Structure parameters

• Formula: C25 H37 Mo N O5 S
• Calculated formula: C25 H37 Mo N O5 S
• SMILES: [Mo]12(=O)(=O)(Oc3c(cc(cc3C[NH]2CC(O1)c1ccccc1)C(C)(C)C)C(C)(C)C)[O]=S(C)C
• Title of publication: Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand
• Authors of publication: Hossain, M. K.; Haukka, M.; Sillanpää, R.; Hrovat, D. A.; Richmond, M. G.; Nordlander, E.; Lehtonen, A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 15.441 ± 0.0002 Å
• b: 12.2811 ± 0.0002 Å
• c: 31.7359 ± 0.0005 Å
• α: 90°
• β: 100.794 ± 0.001°
• γ: 90°
• Cell volume: 5911.68 ± 0.16 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No