Information card for entry 7251342

Structure parameters

• Formula: C13 H12 Mo N2 O5 S
• Calculated formula: C13 H12 Mo N2 O5 S
• Title of publication: From structure to function: tunable electrical and catalytic properties in rare Mo(vi)-thiophene-2-carboxylic acid hydrazone complexes obtained mechanochemically
• Authors of publication: Pavić, Luka; Miočić, Filip; Razum, Marta; Sarjanović, Josipa; Pisk, Jana
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 54
• Pages of publication: 46194 - 46206
• a: 14.8458 ± 0.0002 Å
• b: 7.2875 ± 0.0001 Å
• c: 26.5865 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2876.36 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No