Information card for entry 7721040

Structure parameters

• Formula: C62 H52 Cl4 Cu Fe2 N14 O10 S2
• Calculated formula: C62 H52 Cl4 Cu Fe2 N14 O10 S2
• Title of publication: New redox-active Cu complexes with tridentate chelating ligands based on 2-thioimidazol-4-ones as potential antiproliferative agents
• Authors of publication: Guk, Dmitry A.; Karetnikov, Georgy; Moiseeva, Anna A.; Ipatova, Daria; Alekseechkina, Uliana G.; Skvortsov, Dmitry; Grishin, Y. K.; Tafeenko, Viktor; Lyssenko, Konstantin; Khan, Irina; Pokrovsky, Vadim; Pergushov, Vladimir I.; Beloglazkina, Elena K.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 11.6539 ± 0.0004 Å
• b: 18.4849 ± 0.0006 Å
• c: 30.32 ± 0.001 Å
• α: 90°
• β: 91.854 ± 0.003°
• γ: 90°
• Cell volume: 6528.2 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• 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: 0.1269
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No