Information card for entry 2023586

Structure parameters

• Chemical name: Dibromidobis[1-butyl-4-(pyridin-2-yl)-1,2,4-triazol-5-ylidene]palladium(II)
• Formula: C22 H28 Br2 N8 Pd
• Calculated formula: C21.9992 H27.9982 Br2 N7.9998 Pd
• Title of publication: Synthesis and crystal structure of dibromidobis[1-butyl-4-(pyridin-2-yl)-1,2,4-triazol-5-ylidene]palladium(II)
• Authors of publication: Kovacevic, Anes; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 11
• a: 8.1911 ± 0.0002 Å
• b: 14.9855 ± 0.0003 Å
• c: 10.2521 ± 0.0003 Å
• α: 90°
• β: 90.73 ± 0.001°
• γ: 90°
• Cell volume: 1258.32 ± 0.05 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0361
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No