Information card for entry 1565390

Structure parameters

• Formula: C19 H18 Br2 Cu N4 O2 S
• Calculated formula: C19 H18 Br2 Cu N4 O2 S
• SMILES: Brc1c2c(C=[N]3[Cu]4(N2)Oc2c(OC)cccc2C=[N]4N=C3SCCC)cc(Br)c1
• Title of publication: Effective copper(II) and nickel(II) complexes with N3O and ON3 thiosemicarbazidato ligands. Synthesis, structural analysis and in vitro cytotoxity on melanoma B16F10 cells
• Authors of publication: Şahin, Musa; Eğlence-Bakır, Songül; Alpay, Merve; Alpay, Selin; Özmerdivenli, Recep; Ülküseven, Bahri
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119347
• a: 18.8339 ± 0.0003 Å
• b: 8.7397 ± 0.0001 Å
• c: 25.4167 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4183.66 ± 0.1 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No