Information card for entry 7715941

Structure parameters

• Formula: C26 H16 N6 Ni O2 S2
• Calculated formula: C26 H16 N6 Ni O2 S2
• Title of publication: Six-coordinated nickel (II) complexes with benzothiadiazole Schiff-base ligands: synthesis, crystal structure, magnetic and HFEPR study
• Authors of publication: Plyuta, Nataliya; Barra, Anne-Laure; Novitchi, Ghénadie; Avarvari, Narcis
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 18.7879 ± 0.0007 Å
• b: 8.8858 ± 0.0003 Å
• c: 13.675 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2282.98 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No