Information card for entry 7057089

Structure parameters

• Formula: C20 H26 Mo N2 O4
• Calculated formula: C20 H26 Mo N2 O4
• Title of publication: Oxygen atom transfer between DMSO and benzoin catalyzed by cis-dioxidomolybdenum(vi) complexes of tetradentate Mannich bases
• Authors of publication: Maurya, Mannar R.; Mengesha, Bekele; Uprety, Bhawna; Jangra, Nancy; Tomar, Reshu; Avecilla, Fernando
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 6225
• a: 12.1153 ± 0.0011 Å
• b: 10.9427 ± 0.001 Å
• c: 15.716 ± 0.0014 Å
• α: 90°
• β: 112.296 ± 0.004°
• γ: 90°
• Cell volume: 1927.8 ± 0.3 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No