Information card for entry 2225845

Structure parameters

• Chemical name: Bis[μ-1,2-bis(1,2,4-triazol-4-yl)ethane]bis[diiodidozinc(II)]
• Formula: C12 H16 I4 N12 Zn2
• Calculated formula: C12 H16 I4 N12 Zn2
• SMILES: I[Zn]1(I)[n]2ncn(c2)CCn2c[n](nc2)[Zn](I)(I)[n]2cn(cn2)CCn2c[n]1nc2
• Title of publication: Bis[μ-1,2-bis(1,2,4-triazol-4-yl)ethane]bis[diiodidozinc(II)]
• Authors of publication: Feng, Yunfei; Liang, Na; Li, Baolong; Li, Haiyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m560
• a: 20.241 ± 0.005 Å
• b: 7.3847 ± 0.0014 Å
• c: 17.348 ± 0.004 Å
• α: 90°
• β: 97.375 ± 0.005°
• γ: 90°
• Cell volume: 2571.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes