Information card for entry 7062307

Structure parameters

• Formula: C51.5 H54 Mo3 N12 O17 S3
• Calculated formula: C51.5 H47.238 Mo3 N12 O16.75 S3
• Title of publication: Trinuclear dioxidomolybdenum(vi) complexes derived from benzene-1,3,5-tricarbohydrazide and study of the catalytic activity
• Authors of publication: Maurya, Mannar R.; Singh, Devesh; Avecilla, Fernando; Sharma, Akhilesh; Gupta, Puneet
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 6114 - 6134
• a: 8.502 ± 0.0004 Å
• b: 14.2994 ± 0.0007 Å
• c: 27.4007 ± 0.0014 Å
• α: 79.434 ± 0.002°
• β: 83.469 ± 0.002°
• γ: 78.638 ± 0.002°
• Cell volume: 3200.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1693
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2785
• Weighted residual factors for all reflections included in the refinement: 0.3282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No