Information card for entry 7036459

Structure parameters

• Formula: C37 H41 Cl3 N3 O5 P Pd
• Calculated formula: C37 H41 Cl3 N3 O5 P Pd
• SMILES: [Pd]12(c3ccc4ccccc4c3[C@@H](C)[N]1(C)C)[n]1ccccc1C[C@@H](C(=O)N(C)C)[P]2(c1ccccc1)c1ccccc1.C(Cl)Cl.Cl(=O)(=O)(=O)[O-]
• Title of publication: Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.
• Authors of publication: Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17557 - 17564
• a: 8.4252 ± 0.0002 Å
• b: 17.7922 ± 0.0004 Å
• c: 24.7267 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3706.6 ± 0.15 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No