Information card for entry 2218494

Structure parameters

• Chemical name: Bis[2-(1<i>H</i>-1,2,3-benzotriazol-1-yl)acetic acid-κ<i>N</i>^3^]dichloridozinc(II)
• Formula: C16 H14 Cl2 N6 O4 Zn
• Calculated formula: C16 H14 Cl2 N6 O4 Zn
• SMILES: [Zn](Cl)(Cl)([n]1nn(CC(=O)O)c2c1cccc2)[n]1nn(CC(=O)O)c2ccccc12
• Title of publication: Bis[2-(1<i>H</i>-1,2,3-benzotriazol-1-yl)acetic acid-κ<i>N</i>^3^]dichloridozinc(II)
• Authors of publication: Hang, Tian; Ye, Qiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m758
• a: 8.0896 ± 0.0016 Å
• b: 9.6898 ± 0.0019 Å
• c: 12.703 ± 0.003 Å
• α: 87.48 ± 0.03°
• β: 84.25 ± 0.03°
• γ: 83.95 ± 0.03°
• Cell volume: 984.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes