Information card for entry 2203081

Structure parameters

• Formula: C28 H22 Cl2 N6 O2 Zn
• Calculated formula: C28 H22 Cl2 N6 O2 Zn
• SMILES: [Zn](Cl)(Cl)([n]1nn(CC(=O)c2ccccc2)c2ccccc12)[n]1nn(c2c1cccc2)CC(=O)c1ccccc1
• Title of publication: Bis(1-acetophenone-1<i>H</i>-benzotriazole-κ<i>N</i>^3^)dichlorozinc(II)
• Authors of publication: Fangfang Jian; Hailian Xiao; Pingping Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m38 - m39
• a: 9.449 ± 0.0019 Å
• b: 11.291 ± 0.002 Å
• c: 13.637 ± 0.003 Å
• α: 111.7 ± 0.03°
• β: 94.33 ± 0.03°
• γ: 90.97 ± 0.03°
• Cell volume: 1346.4 ± 0.6 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: 0.1188
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes