Information card for entry 7062360

Structure parameters

• Formula: C24 H18 Cl2 N8 O4 Pd
• Calculated formula: C24 H18 Cl2 N8 O4 Pd
• Title of publication: Unusual coordination of a 1,2,3-triazolyl-pyridine ligand in a Pd(ii) complex: application in the Suzuki–Miyaura coupling reaction
• Authors of publication: Gahlaut, Puneet Singh; Gautam, Deepak; Lama, Prem; Jana, Barun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 6871 - 6879
• a: 11.5199 ± 0.0013 Å
• b: 20.926 ± 0.002 Å
• c: 13.1275 ± 0.0013 Å
• α: 90°
• β: 110.345 ± 0.003°
• γ: 90°
• Cell volume: 2967.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No