Information card for entry 2022739

Structure parameters

• Chemical name: Bis[μ-3-ethyl-5-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazol-1-ido]bis[acetato(dimethylacetamide)copper(II)]
• Formula: C28 H38 Cu2 N10 O6
• Calculated formula: C28 H38 Cu2 N10 O6
• Title of publication: Synthesis and crystal structure of a new copper(II) complex based on 5-ethyl-3-(pyridin-2-yl)-1,2,4-triazole.
• Authors of publication: Petrenko, Yuliia P.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 5
• Pages of publication: 432 - 435
• a: 9.4445 ± 0.0005 Å
• b: 8.9404 ± 0.0004 Å
• c: 20.2237 ± 0.0009 Å
• α: 90°
• β: 93.257 ± 0.004°
• γ: 90°
• Cell volume: 1704.88 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes