Information card for entry 7219147

Structure parameters

• Formula: C27 H32 Cl10 Hg5 N4 O2
• Calculated formula: C27 H32 Cl10 Hg5 N4 O2
• SMILES: [Hg](Cl)=C1N(CC)C=CN1Cc1c(OCCCOc2c(cccc2)CN2C=CN(C2=[Hg]Cl)CC)cccc1.[Hg]1([Cl]2[Hg](Cl)(Cl)[Cl][Hg]2([Cl]1)Cl)(Cl)Cl
• Title of publication: Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion
• Authors of publication: Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1358
• a: 14.416 ± 0.0012 Å
• b: 15.8007 ± 0.0013 Å
• c: 23.0337 ± 0.0014 Å
• α: 90°
• β: 127.396 ± 0.003°
• γ: 90°
• Cell volume: 4168.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No