Information card for entry 7208288

Structure parameters

• Formula: C42 H50 Cl4 N6 O3 Pd2
• Calculated formula: C42 H50 Cl4 N6 O3 Pd2
• SMILES: [Pd](Cl)(Cl)([N]#CC)=C1N(c2c(N1CC)cccc2)Cc1c(OCCOc2c(cccc2)CN2c3c(N(C2=[Pd](Cl)(Cl)[N]#CC)CC)cccc3)cccc1.O(CC)CC
• Title of publication: N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity
• Authors of publication: Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5330
• a: 18.8237 ± 0.001 Å
• b: 20.2191 ± 0.001 Å
• c: 12.437 ± 0.0006 Å
• α: 90°
• β: 103.507 ± 0.001°
• γ: 90°
• Cell volume: 4602.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No