Information card for entry 4064492

Structure parameters

• Common name: in manuscript 4
• Formula: C10 H18 Cl2 N2 Pd
• Calculated formula: C10 H18 Cl2 N2 Pd
• SMILES: [Pd](Cl)(Cl)(C#[N]C(C)(C)C)C#[N]C(C)(C)C
• Title of publication: From Isonitriles to Carbenes: Synthesis of New NAC− and NHC−Palladium(II) Compounds and Their Catalytic Activity
• Authors of publication: Hashmi, A. Stephen K.; Lothschütz, Christian; Böhling, Constantin; Rominger, Frank
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2411
• a: 12.1785 ± 0.0002 Å
• b: 12.2432 ± 0.0002 Å
• c: 21.0538 ± 0.0003 Å
• α: 99.493 ± 0.001°
• β: 99.806 ± 0.001°
• γ: 90.533 ± 0.001°
• Cell volume: 3048.72 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No