Information card for entry 7205163

Structure parameters

• Formula: C38 H46 Hg3 I4 N6
• Calculated formula: C38 H46 Hg3 I4 N6
• SMILES: [Hg](I)(I)([I-])[I-].[Hg]1C(C#N)[Hg]=C2N(CCCC)c3ccccc3N2Cc2c(c(c(c(c2C)C)CN2c3ccccc3N(C=12)CCCC)C)C.N#CC
• Title of publication: N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies
• Authors of publication: Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 293
• a: 12.2129 ± 0.0008 Å
• b: 13.3117 ± 0.0008 Å
• c: 16.6923 ± 0.001 Å
• α: 71.161 ± 0.001°
• β: 75.701 ± 0.001°
• γ: 62.988 ± 0.001°
• Cell volume: 2271.9 ± 0.2 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: 0.0481
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No