Information card for entry 7062607

Structure parameters

• Formula: C23 H18 Br Cu N7 O2
• Calculated formula: C23 H18 Br Cu N7 O2
• SMILES: Br[Cu]123[n]4c(C(=[N]2N=C2Oc5c(N32)cccc5)C)cccc4C(=[N]1/N=C1/Oc2c(N1)cccc2)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: 10.401 ± 0.002 Å
• b: 8.687 ± 0.0017 Å
• c: 24.368 ± 0.005 Å
• α: 90°
• β: 97.27 ± 0.03°
• γ: 90°
• Cell volume: 2184 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1085
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.745 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No