Information card for entry 2020736

Structure parameters

• Chemical name: Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}diiodidomercury(II)
• Formula: C20 H18 Hg I2 N10
• Calculated formula: C20 H18 Hg I2 N10
• SMILES: c1cc2c(n(Cn3c[n]([Hg](I)(I)[n]4cn(cc4)Cn4c5c(cccc5)nn4)cc3)nn2)cc1
• Title of publication: Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties
• Authors of publication: Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• a: 12.103 ± 0.002 Å
• b: 11.827 ± 0.002 Å
• c: 17.862 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2556.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes