Information card for entry 4068545

Structure parameters

• Chemical name: 1-(2-Pyrimidyl)-3-(2,4,6-trimethylphenyl)imidazoline-2-ylidene palladium(II) chloride
• Formula: C18 H19 Cl2 N5 Pd
• Calculated formula: C18 H19 Cl2 N5 Pd
• SMILES: [Pd]1(=C2N(C=CN2c2c(cc(cc2C)C)C)c2nccc[n]12)(Cl)Cl.C(#N)C
• Title of publication: Palladium Complexes with Pyrimidine-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Structure and Catalytic Activity
• Authors of publication: Meyer, Dirk; Taige, Maria A.; Zeller, Alexander; Hohlfeld, Konrad; Ahrens, Sebastian; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2142
• a: 10.453 ± 0.0011 Å
• b: 14.071 ± 0.0004 Å
• c: 13.779 ± 0.002 Å
• α: 90°
• β: 105.769 ± 0.012°
• γ: 90°
• Cell volume: 1950.4 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No