Information card for entry 2235209

Structure parameters

• Chemical name: Bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-2-methyl-1<i>H</i>-imdazole- κ<i>N</i>^3^}dichloridozinc
• Formula: C22 H22 Cl2 N10 Zn
• Calculated formula: C22 H22 Cl2 N10 Zn
• SMILES: [Zn](Cl)(Cl)([n]1ccn(Cn2c3ccccc3nn2)c1C)[n]1ccn(c1C)Cn1c2ccccc2nn1
• Title of publication: Bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-2-methyl-1<i>H</i>-imdazole-κ<i>N</i>^3^}dichloridozinc
• Authors of publication: Yang, Haiyan; Li, Yinghua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m819
• a: 8.1625 ± 0.0016 Å
• b: 12.692 ± 0.003 Å
• c: 13.29 ± 0.003 Å
• α: 65.52 ± 0.03°
• β: 79.47 ± 0.03°
• γ: 84.02 ± 0.03°
• Cell volume: 1231.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes