Information card for entry 2020648

Structure parameters

• Chemical name: Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}dibromidozinc(II)
• Formula: C20 H18 Br2 N10 Zn
• Calculated formula: C20 H18 Br2 N10 Zn
• SMILES: c1[n](ccn1Cn1c2ccccc2nn1)[Zn](Br)([n]1cn(cc1)Cn1c2ccccc2nn1)Br
• Title of publication: Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole
• Authors of publication: Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 917 - 922
• a: 11.498 ± 0.002 Å
• b: 11.715 ± 0.002 Å
• c: 17.071 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2299.4 ± 0.7 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: 0.0519
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes