Information card for entry 4076069

Structure parameters

• Formula: C13 H12 Cl4 N2 Pd
• Calculated formula: C13 H12 Cl4 N2 Pd
• SMILES: [Pd]1(Cl)([NH2][C@@H](C)c2ccccc12)[n]1cc(Cl)c(Cl)c(Cl)c1
• Title of publication: The Firsttrans-Configured Cyclopalladated Amine
• Authors of publication: Calmuschi-Cula, Beatrice; Kalf, Irmgard; Wang, Ruimin; Englert, Ulli
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5491
• a: 6.6982 ± 0.0019 Å
• b: 8.581 ± 0.003 Å
• c: 13.423 ± 0.004 Å
• α: 76.702 ± 0.005°
• β: 84.661 ± 0.006°
• γ: 88.959 ± 0.006°
• Cell volume: 747.6 ± 0.4 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No