Information card for entry 7716923

Structure parameters

• Formula: C20 H32 N6 Ni S2
• Calculated formula: C20 H32 N6 Ni S2
• Title of publication: Nickel(II) complexes with 14-membered bis-thiosemicarbazide and bis-isothiosemicarbazide ligands: synthesis, characterization and catalysis of oxygen evolution reaction.
• Authors of publication: Besleaga, Iuliana; Fesenko, Anastasia A.; Paul, Anup; Šljukić, Biljana; Rapta, Peter; Pombeiro, Armando J. L.; Shutalev, Anatoly D.; Arion, Vladimir B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 11.6032 ± 0.001 Å
• b: 13.6885 ± 0.0012 Å
• c: 16.1127 ± 0.0013 Å
• α: 112.018 ± 0.003°
• β: 90.826 ± 0.003°
• γ: 107.495 ± 0.003°
• Cell volume: 2239.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No