Information card for entry 4074364

Structure parameters

• Formula: C11 H18 Cl2 N4 O Pd S
• Calculated formula: C11 H18 Cl2 N4 O Pd S
• SMILES: [Pd]1(Cl)(Cl)=C2N(C=CN2CN2C=1N(C=C2)C)C.S(=O)(C)C
• Title of publication: Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity
• Authors of publication: Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5409
• a: 7.78 ± 0.0005 Å
• b: 8.219 ± 0.0005 Å
• c: 13.702 ± 0.0006 Å
• α: 92.519 ± 0.006°
• β: 102.089 ± 0.006°
• γ: 104.242 ± 0.005°
• Cell volume: 826.17 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0139
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No