Information card for entry 7223299

Structure parameters

• Formula: C26 H27 Mo N3 O8 S2
• Calculated formula: C26 H27 Mo N3 O8 S2
• Title of publication: Effect of N-based additive on the optimization of liquid phase oxidation of bicyclic, cyclic and aromatic alcohols catalyzed by dioxidomolybdenum(VI) and oxidoperoxidomolybdenum(VI) complexes
• Authors of publication: Maurya, Mannar R.; Saini, Neeraj; Avecilla, Fernando
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.771 ± 0.002 Å
• b: 11.984 ± 0.002 Å
• c: 12.499 ± 0.002 Å
• α: 89.199 ± 0.005°
• β: 69.782 ± 0.004°
• γ: 61.016 ± 0.004°
• Cell volume: 1421.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No