Information card for entry 7709666

Structure parameters

• Formula: C37 H28 N4 P2
• Calculated formula: C37 H28 N4 P2
• SMILES: P(c1ccccc1)(c1ccccc1)c1c(n2nnc(c3ncccc3)c2P(c2ccccc2)c2ccccc2)cccc1
• 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: 14.8422 ± 0.0003 Å
• b: 12.0763 ± 0.0002 Å
• c: 18.5323 ± 0.0005 Å
• α: 90°
• β: 113.472 ± 0.003°
• γ: 90°
• Cell volume: 3046.85 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No