Information card for entry 7715942

Structure parameters

• Formula: C29 H22 Cl2 N6 Ni O4 S2
• Calculated formula: C29 H22 Cl2 N6 Ni O4 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: 11.2801 ± 0.0007 Å
• b: 12.5636 ± 0.0009 Å
• c: 12.8251 ± 0.0009 Å
• α: 90.999 ± 0.006°
• β: 110.952 ± 0.006°
• γ: 115.653 ± 0.007°
• Cell volume: 1497.7 ± 0.2 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 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: 0.1133
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No