Information card for entry 2013508

Structure parameters

• Chemical name: catena-poly[[bis(dicyanamido)zinc(II)]-di-μ-bis(1,2,4-triazol-1-yl)ethane- κ~4~N4:N4']
• Formula: C16 H16 N18 Zn
• Calculated formula: C16 H16 N18 Zn
• SMILES: [Zn]1(N=C=NC#N)(N=C=NC#N)[n]2cnn(c2)CCn2nc[n](c2)[Zn]([n]2cnn(c2)CCn2ncnc2)([n]2cnn(c2)CCn2nc[n]1c2)([n]1cnn(c1)CCn1ncnc1)(N=C=NC#N)N=C=NC#N
• Title of publication: The infinite double-stranded chain polymer <i>catena</i>-poly[[bis(dicyanamido)zinc(II)]-di-μ-1,2-bis(1,2,4-triazol-1-yl)ethane-κ^4^<i>N</i>^4^:<i>N</i>^4'^]
• Authors of publication: Baolong Li; Baozong Li; Xia Zhu; Liming Zhu; Yong Zhang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m350 - m351
• a: 8.501 ± 0.004 Å
• b: 8.369 ± 0.004 Å
• c: 15.403 ± 0.006 Å
• α: 90°
• β: 92.463 ± 0.006°
• γ: 90°
• Cell volume: 1094.8 ± 0.8 ų
• Cell temperature: 193.15 K
• Ambient diffraction temperature: 193.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes