Information card for entry 7205982

Structure parameters

• Formula: C26 H36 Hg2 I6 N4 O
• Calculated formula: C26 H36 Hg2 I6 N4 O
• SMILES: c12[n+](cn(c1cccc2)CCCC)CCOCC[n+]1c2c(cccc2)n(c1)CCCC.I[Hg]1(I)[I][Hg](I)(I)[I]1
• Title of publication: Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies
• Authors of publication: Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 4086
• a: 13.4814 ± 0.0009 Å
• b: 15.3581 ± 0.0011 Å
• c: 19.0334 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3940.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No