Information card for entry 4068544

Structure parameters

• Chemical name: Bis(1-(2-pyrimidyl)-3-(methyl)imidazoline-2-ylidene) palladium(II) chloride dimethyl-sulfoxidotrichloro palladium(II)
• Formula: C18 H22 Cl4 N8 O Pd2 S
• Calculated formula: C18 H22 Cl4 N8 O Pd2 S
• SMILES: [Pd]1(=C2N(C)C=CN2c2[n]1cccn2)(Cl)=C1N(C)C=CN1c1ncccn1.[Pd](Cl)(Cl)(Cl)[S](=O)(C)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: 11.247 ± 0.001 Å
• b: 28.12 ± 0.003 Å
• c: 8.434 ± 0.001 Å
• α: 90°
• β: 102.27 ± 0.01°
• γ: 90°
• Cell volume: 2606.5 ± 0.5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• 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: 0.0287
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No