Information card for entry 7055878

Structure parameters

• Formula: C20 H26 Mo2 N2 O11 S2
• Calculated formula: C20 H26 Mo2 N2 O11 S2
• Title of publication: Molybdenum complexes with a μ-O{MoO2}2 core: their synthesis, crystal structure and application as catalysts for the oxidation of bicyclic alcohols using N-based additives
• Authors of publication: Maurya, Mannar R.; Rana, Lata; Avecilla, Fernando
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 724
• a: 11.6534 ± 0.0003 Å
• b: 39.0383 ± 0.0012 Å
• c: 12.9675 ± 0.0004 Å
• α: 90°
• β: 116.524 ± 0.0013°
• γ: 90°
• Cell volume: 5278.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No