Information card for entry 7062606

Structure parameters

• Formula: C23 H18 Cu N8 O5
• Calculated formula: C23 H18 Cu N8 O5
• SMILES: [Cu]123(ON(=O)=O)[N](/N=C4/Oc5ccccc5N4)=C(c4[n]1c(C(=[N]2N=C1Oc2c(N31)cccc2)C)ccc4)C
• Title of publication: Crystal structure and cytotoxic activity of Cu(ii) complexes with bis-benzoxazolylhydrazone of 2,6-diacetylpyridine
• Authors of publication: Tupolova, Yulia P.; Popov, Leonid D.; Vlasenko, Valery G.; Gishko, Konstantin B.; Kapustina, Anna A.; Berejnaya, Alexandra G.; Golubeva, Yuliya A.; Klyushova, Lyubov S.; Lider, Elizaveta V.; Lazarenko, Vladimir A.; Bachurin, Stanislav S.; Shcherbakov, Igor N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 14972 - 14985
• a: 10.598 ± 0.002 Å
• b: 9.078 ± 0.0018 Å
• c: 23.574 ± 0.005 Å
• α: 90°
• β: 100.2 ± 0.03°
• γ: 90°
• Cell volume: 2232.2 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.745 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No