Information card for entry 7059573

Structure parameters

• Formula: C17 H17 Cd N3 O4
• Calculated formula: C17 H17 Cd N3 O4
• Title of publication: Cd(ii) coordination compounds as heterogeneous catalysts for microwave-assisted peroxidative oxidation of toluene and 1-phenylethanol
• Authors of publication: Sutradhar, Manas; Roy Barman, Tannistha; Alegria, Elisabete C. B. A.; Lapa, Hugo M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 9163 - 9171
• a: 11.0012 ± 0.001 Å
• b: 13.1453 ± 0.0011 Å
• c: 12.5273 ± 0.0012 Å
• α: 90°
• β: 101.791 ± 0.004°
• γ: 90°
• Cell volume: 1773.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0359
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No