Information card for entry 2211161

Structure parameters

• Chemical name: Dichlorobis{1-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-ylmethyl]- 1H-1,2,4-triazole-κN^4^}zinc(II)
• Formula: C24 H22 Cl6 N6 O4 Zn
• Calculated formula: C24 H22 Cl6 N6 O4 Zn
• SMILES: c1(c(cc(cc1)Cl)Cl)C1(OCCO1)Cn1nc[n](c1)[Zn]([n]1cn(CC2(c3c(cc(cc3)Cl)Cl)OCCO2)nc1)(Cl)Cl
• Title of publication: Dichlorobis(1-{[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)zinc(II)
• Authors of publication: Xie, Xue-Qun; Yang, Chun-Long; Li, Qian-Jin; Luo, Jin-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3096 - m3097
• a: 16.662 ± 0.004 Å
• b: 5.5801 ± 0.0013 Å
• c: 16.295 ± 0.004 Å
• α: 90°
• β: 103.958 ± 0.004°
• γ: 90°
• Cell volume: 1470.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes