Information card for entry 2014085

Structure parameters

• Chemical name: catena-Poly[[bis[μ-1,1'-ethane-1,2-diylbis(1,2,4-triazole)- κ^2^N^4^:N^4'^]bis[azidozinc(II)]]-di-μ-azido-κ^4^N^1^:N^1^]
• Formula: C12 H16 N24 Zn2
• Calculated formula: C12 H16 N24 Zn2
• SMILES: N(=N#N)[Zn]1([n]2cnn(c2)CCn2c[n](cn2)[Zn]([n]2cnn(c2)CCn2c[n]1cn2)(N=N#N)N=N#N)N=N#N
• Title of publication: The infinite one-dimensional chain polymer <i>catena</i>-poly[[bis[μ-1,1'-ethane-1,2-diylbis(1,2,4-triazole)-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[azidozinc(II)]]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^]
• Authors of publication: Xia Zhu; Baozong Li; Junhui Zhou; Baolong Li; Zhang Yong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m191 - m193
• a: 7.646 ± 0.003 Å
• b: 8.69 ± 0.003 Å
• c: 9.266 ± 0.003 Å
• α: 95.43 ± 0.005°
• β: 105.054 ± 0.006°
• γ: 100.884 ± 0.005°
• Cell volume: 577.1 ± 0.4 ų
• Cell temperature: 193.15 ± 0.02 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes