Information card for entry 7054618

Structure parameters

• Formula: C25 H26 Mo N4 O7 S
• Calculated formula: C25 H26 Mo N4 O7 S
• Title of publication: Oxidation of secondary alcohols by conventional and microwave-assisted methods using molybdenum complexes of ONO donor ligands
• Authors of publication: Maurya, Mannar R.; Dhaka, Sarita; Avecilla, Fernando
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 2130
• a: 8.782 ± 0.005 Å
• b: 11.521 ± 0.005 Å
• c: 14.083 ± 0.005 Å
• α: 106.769 ± 0.005°
• β: 98.537 ± 0.005°
• γ: 91.636 ± 0.005°
• Cell volume: 1345.3 ± 1.1 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: 0.0719
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No