Information card for entry 4070392

Structure parameters

• Formula: C14 H18 Cl2 N2 Pd S
• Calculated formula: C14 H18 Cl2 N2 Pd S
• SMILES: [Pd]1(Cl)(Cl)[S](C)CN2C=1N(C=C2)c1c(cc(cc1C)C)C
• Title of publication: N-Heterocyclic Carbene Transfer from Gold(I) to Palladium(II)
• Authors of publication: Liu, Shiuh-Tzung; Lee, Chun-I; Fu, Ching-Feng; Chen, Chang-Hong; Liu, Yi-Hung; Elsevier, Cornelis J.; Peng, Shei-Ming; Chen, Jwu-Ting
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6957
• a: 8.0299 ± 0.0002 Å
• b: 17.8932 ± 0.0003 Å
• c: 12.3472 ± 0.0003 Å
• α: 90°
• β: 108.238 ± 0.002°
• γ: 90°
• Cell volume: 1684.93 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4070391
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No