Information card for entry 7062451

Structure parameters

• Formula: C18 H18 Cu N10 O4
• Calculated formula: C18 H18 Cu N10 O4
• SMILES: [Cu]12(OC(=O)Cc3[n]2nn[nH]3)([n]2c(cc(cc2)C)c2[n]1ccc(c2)C)[n]1n[nH]c(n1)CC(=O)[O-]
• 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: 11.5059 ± 0.0005 Å
• b: 21.8114 ± 0.0009 Å
• c: 8.6454 ± 0.0004 Å
• α: 90°
• β: 110.549 ± 0.001°
• γ: 90°
• Cell volume: 2031.6 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0978
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No