Information card for entry 1565389

Structure parameters

• Formula: C18 H15 Br3 N4 Ni O S
• Calculated formula: C18 H15 Br3 N4.04 Ni O S
• 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: 7.082 ± 0.006 Å
• b: 12.394 ± 0.01 Å
• c: 13.144 ± 0.01 Å
• α: 107.93 ± 0.02°
• β: 101.94 ± 0.02°
• γ: 93.81 ± 0.02°
• Cell volume: 1063.4 ± 1.5 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3234
• Residual factor for significantly intense reflections: 0.1265
• Weighted residual factors for significantly intense reflections: 0.2879
• Weighted residual factors for all reflections included in the refinement: 0.3827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No