Information card for entry 2023118

Structure parameters

• Chemical name: Bis{2-[5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate
• Formula: C40 H34 F12 N8 O14 Pd
• Calculated formula: C40 H34 F12 N8 O14 Pd
• Title of publication: Crystal structure of bis{2-[5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate
• Authors of publication: Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Bargan, Alexandra; Vassilyeva, Olga Yu.; Lampeka, Rostyslav D.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• a: 8.6173 ± 0.0004 Å
• b: 10.6265 ± 0.0006 Å
• c: 13.1312 ± 0.0004 Å
• α: 93.384 ± 0.004°
• β: 98.121 ± 0.003°
• γ: 94.09 ± 0.004°
• Cell volume: 1184.45 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No