Information card for entry 7710177

Structure parameters

• Formula: C33 H34 Cl N2 P Pd
• Calculated formula: C33 H34 Cl N2 P Pd
• SMILES: [Pd]12(c3c(C[P]1(c1ccccc1)c1ccccc1)cccc3C1=[N]2[C@H](CN1c1ccc(cc1)C)C(C)(C)C)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: 10.2862 ± 0.0005 Å
• b: 12.1285 ± 0.0004 Å
• c: 12.6954 ± 0.0005 Å
• α: 90°
• β: 111.54 ± 0.005°
• γ: 90°
• Cell volume: 1473.22 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No