Information card for entry 7720357

Structure parameters

• Formula: C45 H30 N4 O3
• Calculated formula: C45 H30 N4 O3
• Title of publication: Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds
• Authors of publication: Škoch, Karel; Buziková, Michaela; Jakubczyk, Michal; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 10.79123 ± 0.00008 Å
• b: 16.54087 ± 0.00014 Å
• c: 19.00846 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3392.94 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No