Information card for entry 7709669

Structure parameters

• Formula: C26 H19 Cl4 N4 P Pd
• Calculated formula: C26 H19 Cl4 N4 P Pd
• SMILES: [Pd]12(c3n(nnc3c3[n]2cccc3)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)Cl.ClC(Cl)Cl
• Title of publication: 1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies
• Authors of publication: Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.1762 ± 0.0006 Å
• b: 8.8589 ± 0.0002 Å
• c: 18.792 ± 0.0005 Å
• α: 90°
• β: 103.65 ± 0.003°
• γ: 90°
• Cell volume: 2616.89 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No