Information card for entry 4074365

Structure parameters

• Formula: C10 H14 Cl2 N4 Pd
• Calculated formula: C10 H14 Cl2 N4 Pd
• SMILES: [Pd]1(Cl)(Cl)=C2N(C=CN2CCn2cc[n+](C)c12)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: 10.14 ± 0.0015 Å
• b: 8.394 ± 0.0004 Å
• c: 15.221 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1295.5 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No