Information card for entry 7205161

Structure parameters

• Formula: C62 H71 Cu4 I4 N9
• Calculated formula: C62 H71 Cu4 I4 N9
• SMILES: [I]1[Cu]23[I][Cu]12=C1N(Cc2c(c(c(CN4c5c(N(C=34)CC)cccc5)c(c2C)C)C)C)c2c(N1CC)cccc2.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: 9.7099 ± 0.0019 Å
• b: 17.216 ± 0.003 Å
• c: 19.642 ± 0.004 Å
• α: 72.85 ± 0.03°
• β: 86.38 ± 0.03°
• γ: 88.62 ± 0.03°
• Cell volume: 3131.2 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0921
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No