Information card for entry 7721067

Structure parameters

• Formula: C13 H12 Mo N2 O6
• Calculated formula: C13 H12 Mo N2 O6
• Title of publication: Mechanochemical synthesis, solvent-controlled coordination, and catalytic oxidation activity of furoic acid-based Mo(vi) complexes
• Authors of publication: Sarjanović, Josipa; Fiser, Béla; Pisk, Jana
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 7.4144 ± 0.0002 Å
• b: 9.9662 ± 0.0002 Å
• c: 18.8356 ± 0.0004 Å
• α: 90°
• β: 101.188 ± 0.002°
• γ: 90°
• Cell volume: 1365.38 ± 0.06 ų
• Cell temperature: 169.97 ± 0.1 K
• Ambient diffraction temperature: 169.97 ± 0.1 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: 0.0502
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No