Information card for entry 7709673

Structure parameters

• Formula: C39 H32 Cl6 N4 P2 Pt
• Calculated formula: C39 H32 Cl6 N4 P2 Pt
• SMILES: [Pt]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2n2nnc(c3ncccc3)c2[P]1(c1ccccc1)c1ccccc1)c1ccccc1.ClCCl.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: 21.8778 ± 0.0009 Å
• b: 12.5511 ± 0.0005 Å
• c: 30.095 ± 0.0012 Å
• α: 90°
• β: 110.548 ± 0.005°
• γ: 90°
• Cell volume: 7738 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No