Information card for entry 7057951

Structure parameters

• Formula: C18 H21 Cl4 Cu N5 O5 S
• Calculated formula: C18 H21 Cl4 Cu N5 O5 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: 9.5794 ± 0.0011 Å
• b: 17.6082 ± 0.0016 Å
• c: 15.4996 ± 0.0015 Å
• α: 90°
• β: 105.502 ± 0.004°
• γ: 90°
• Cell volume: 2519.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.96 K
• Number of distinct elements: 7
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0832
• 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: Yes
• Has Fobs: No