Information card for entry 7029424

Structure parameters

• Formula: C21 H26 Cl8 N2 Pd2
• Calculated formula: C21 H26 Cl8 N2 Pd2
• SMILES: [Pd]12(c3c(ccc(c3[C@H](C)[N]2(C)C)Cl)Cl)[Cl][Pd]2(c3c(ccc(c3[C@H](C)[N]2(C)C)Cl)Cl)[Cl]1.C(Cl)Cl
• 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: 8.8571 ± 0.0002 Å
• b: 14.1867 ± 0.0003 Å
• c: 11.1258 ± 0.0003 Å
• α: 90°
• β: 95.091 ± 0.001°
• γ: 90°
• Cell volume: 1392.48 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No