Information card for entry 7709668

Structure parameters

• Formula: C26 H21 Cl4 N4 P Pd
• Calculated formula: C26 H21 Cl4 N4 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2n(nnc2c2[n]1cccc2)c1ccccc1)c1ccccc1.ClCCl
• 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: 10.8739 ± 0.0004 Å
• b: 8.6646 ± 0.0003 Å
• c: 28.187 ± 0.0008 Å
• α: 90°
• β: 94.066 ± 0.003°
• γ: 90°
• Cell volume: 2649.04 ± 0.15 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: 0.0527
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No