Information card for entry 7709664

Structure parameters

• Formula: C25 H18 Br N4 P
• Calculated formula: C25 H18 Br N4 P
• SMILES: Brc1ccccc1n1nnc(c2ncccc2)c1P(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: 9.5772 ± 0.0003 Å
• b: 10.3094 ± 0.0004 Å
• c: 21.5985 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2132.53 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No