Information card for entry 7057954

Structure parameters

• Formula: C10 H11 Cl4 Cu N5 O4 S
• Calculated formula: C10 H11 Cl4 Cu N5 O4 S
• Title of publication: Investigation of the cytotoxic potential of methyl imidazole-derived thiosemicarbazones and their copper(ii) complexes with dichloroacetate as a co-ligand
• Authors of publication: Palamarciuc, Oleg; Milunović, Miljan N. M.; Sîrbu, Angela; Stratulat, Elena; Pui, Aurel; Gligorijevic, Nevenka; Radulovic, Sinisa; Kožíšek, Jozef; Darvasiová, Denisa; Rapta, Peter; Enyedy, Eva A.; Novitchi, Ghenadie; Shova, Sergiu; Arion, Vladimir B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1340
• a: 10.0981 ± 0.0007 Å
• b: 21.8935 ± 0.0015 Å
• c: 17.1161 ± 0.0012 Å
• α: 90°
• β: 106.756 ± 0.003°
• γ: 90°
• Cell volume: 3623.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.026
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No