Information card for entry 7062454

Structure parameters

• Formula: C32 H30 Cl2 Cu2 N12 O8 S
• Calculated formula: C32 H30 Cl2 Cu2 N12 O8 S
• 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: 19.0581 ± 0.0007 Å
• b: 9.1854 ± 0.0004 Å
• c: 21.4525 ± 0.0009 Å
• α: 90°
• β: 101.231 ± 0.001°
• γ: 90°
• Cell volume: 3683.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.1192
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No