Information card for entry 7057950

Structure parameters

• Formula: C11 H17 Cl4 Cu N5 O6 S
• Calculated formula: C11 H17 Cl4 Cu N5 O6 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: 7.5477 ± 0.0003 Å
• b: 17.3408 ± 0.0006 Å
• c: 15.7754 ± 0.0006 Å
• α: 90°
• β: 95.674 ± 0.001°
• γ: 90°
• Cell volume: 2054.62 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.91 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: 0.034
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No