Information card for entry 7208285

Structure parameters

• Formula: C66 H80 Hg3 I6 N8
• Calculated formula: C66 H80 Hg3 I6 N8
• SMILES: [Hg](I)(I)([I-])[I-].[Hg]1(I)=C2N(c3c(N2Cc2c(c(c(cc2C)C)CN2c4c(N(C=12)CCCC)cccc4)C)cccc3)CCCC.[Hg]1(I)=C2N(c3c(N2Cc2c(c(c(cc2C)C)CN2c4c(N(C=12)CCCC)cccc4)C)cccc3)CCCC
• 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: 11.235 ± 0.002 Å
• b: 18.637 ± 0.003 Å
• c: 18.65 ± 0.003 Å
• α: 109.493 ± 0.003°
• β: 104.117 ± 0.002°
• γ: 92.378 ± 0.002°
• Cell volume: 3537.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No