Information card for entry 7710179

Structure parameters

• Formula: C41 H32 Cl N2 O P Pd
• Calculated formula: C41 H32 Cl N2 O P Pd
• SMILES: [Pd]12(c3c(cccc3C3=[N]2[C@H]([C@@H](N3C(=O)c2ccccc2)c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)Cl
• Title of publication: Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine
• Authors of publication: Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.34262 ± 0.00012 Å
• b: 14.76131 ± 0.00019 Å
• c: 24.6818 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3403.85 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No