Information card for entry 7205169

Structure parameters

• Formula: C36 H52 Cl6 N4 O2 Pd2 S2
• Calculated formula: C36 H52 Cl6 N4 O2 Pd2 S2
• SMILES: C(n1c2ccccc2[n+](c1)Cc1c(C)c(c(C[n+]2c3c(cccc3)n(CCC)c2)c(C)c1C)C)CC.Cl[Pd](Cl)([S](=O)(C)C)Cl.O=[S](C)(C)[Pd](Cl)(Cl)Cl
• 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: 8.885 ± 0.0011 Å
• b: 10.6269 ± 0.0013 Å
• c: 13.0417 ± 0.0016 Å
• α: 78.793 ± 0.002°
• β: 80.799 ± 0.002°
• γ: 66.276 ± 0.002°
• Cell volume: 1101.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No