Information card for entry 7029422

Structure parameters

• Formula: C15 H20 Cl2 N2 O2 Pd
• Calculated formula: C15 H20 Cl2 N2 O2 Pd
• SMILES: [Pd]12(c3c(ccc(c3[C@@H](C)[N]1(C)C)Cl)Cl)[NH]1[C@H](C(=O)O2)CCC1
• 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: 8.8546 ± 0.0003 Å
• b: 8.8546 ± 0.0003 Å
• c: 22.276 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1746.53 ± 0.11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0608
• 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