Information card for entry 7709663

Structure parameters

• Formula: C37 H28 N4 P2
• Calculated formula: C37 H28 N4 P2
• SMILES: P(c1ccccc1)(c1n(nnc1c1ccccc1)c1ncccc1P(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 10.2657 ± 0.0006 Å
• b: 9.5652 ± 0.0005 Å
• c: 16.3406 ± 0.0011 Å
• α: 90°
• β: 104.332 ± 0.007°
• γ: 90°
• Cell volume: 1554.6 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No