Information card for entry 7717518

Structure parameters

• Formula: C13 H18 Br2 N4 Ni O3 S
• Calculated formula: C13 H18 Br2 N4 Ni O3 S
• Title of publication: Synthesis, Cytotoxicities, Structural Properties and Comparison of Dihalogenosubstituted-thiosemicarbazone ligands and Mixed-Ligand Ni(II) Complexes
• Authors of publication: AVCU ALTIPARMAK, Elif; ÖZEN EROĞLU, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal-Demirci, Tulay
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 12.69 ± 0.0008 Å
• b: 10.2688 ± 0.0005 Å
• c: 15.4499 ± 0.0012 Å
• α: 90°
• β: 111.571 ± 0.005°
• γ: 90°
• Cell volume: 1872.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0825
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No