Information card for entry 7062450

Structure parameters

• Formula: C13 H12 Cu N6 O3
• Calculated formula: C13 H12 Cu N6 O3
• SMILES: [Cu]12([n]3c(c4[n]1cccc4)cccc3)(OC(=O)Cc1n2nnn1)[OH2]
• Title of publication: Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives
• Authors of publication: Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 9472 - 9482
• a: 7.3702 ± 0.0002 Å
• b: 10.2412 ± 0.0002 Å
• c: 10.3398 ± 0.0003 Å
• α: 71.39 ± 0.001°
• β: 70.13 ± 0.001°
• γ: 73.883 ± 0.001°
• Cell volume: 682.97 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No