Information card for entry 7709665

Structure parameters

• Formula: C25 H19 N4 P
• Calculated formula: C25 H19 N4 P
• SMILES: P(c1n(nnc1c1ncccc1)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: 8.7355 ± 0.0004 Å
• b: 9.3623 ± 0.0004 Å
• c: 12.7655 ± 0.0005 Å
• α: 83.817 ± 0.003°
• β: 74.007 ± 0.004°
• γ: 81.161 ± 0.004°
• Cell volume: 989.34 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No