Information card for entry 4072377

Structure parameters

• Formula: C10 H17 Cl N2 Pd
• Calculated formula: C10 H17 Cl N2 Pd
• SMILES: [Pd]12(Cl)(C[CH]1=[CH2]2)=C1N(C(=C(N1C)C)C)C
• Title of publication: Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity
• Authors of publication: Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6507
• a: 20.107 ± 0.005 Å
• b: 8.448 ± 0.005 Å
• c: 14.16 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.575 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2371.8 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No