Information card for entry 7219144

Structure parameters

• Formula: C35 H32 Hg3 I6 N4 O2
• Calculated formula: C35 H32 Hg3 I6 N4 O2
• SMILES: [Hg]1([I][Hg]2([I][Hg](I)(I)[I]2)I)=C2N(Cc3ccccc3)C=CN2Cc2c(OCOc3c(cccc3)CN3C=CN(C=13)Cc1ccccc1)cccc2
• 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: 11.3111 ± 0.0015 Å
• b: 13.5636 ± 0.0018 Å
• c: 16.321 ± 0.002 Å
• α: 81.613 ± 0.002°
• β: 75.368 ± 0.002°
• γ: 67.987 ± 0.002°
• Cell volume: 2242.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No