Information card for entry 7029425

Structure parameters

• Formula: C14 H18 Cl3 N3 O4 Pd
• Calculated formula: C14 H18 Cl3 N3 O4 Pd
• SMILES: [Pd]1(c2c(ccc(c2[C@H](C)[N]1(C)C)Cl)Cl)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.
• Authors of publication: Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 5777 - 5784
• a: 10.8357 ± 0.0008 Å
• b: 6.3586 ± 0.0004 Å
• c: 14.7427 ± 0.0011 Å
• α: 90°
• β: 108.798 ± 0.002°
• γ: 90°
• Cell volume: 961.59 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0505
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No