Information card for entry 7036463

Structure parameters

• Formula: C21 H20 Au Cl N O2 P
• Calculated formula: C21 H20 Au Cl N O2 P
• SMILES: [Au](Cl)[P]([C@H](CC(=O)OC)c1ccccn1)(c1ccccc1)c1ccccc1
• 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: 8.5246 ± 0.0013 Å
• b: 17.622 ± 0.003 Å
• c: 13.569 ± 0.002 Å
• α: 90°
• β: 91.475 ± 0.002°
• γ: 90°
• Cell volume: 2037.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No