Information card for entry 2222606

Structure parameters

• Chemical name: <i>catena</i>-Poly[dipropylammonium [[bis(benzotriazolato-κ<i>N</i>^1^)zinc(II)]-μ- benzotriazolato-κ^2^<i>N</i>^1^:<i>N</i>^3^]]
• Formula: C24 H28 N10 Zn
• Calculated formula: C24 H28 N10 Zn
• SMILES: [Zn](n1c2c(cccc2)nn1)(n1c2ccccc2nn1)(n1c2c(cccc2)nn1)n1c2ccccc2[n]([Zn](n2c3ccccc3nn2)n2c3c(cccc3)nn2)n1.CCC[NH2+]CCC.CCC[NH2+]CCC
• Title of publication: <i>catena</i>-Poly[dipropylammonium [[bis(benzotriazolato-κ<i>N</i>^1^)zinc(II)]-μ-benzotriazolato-κ^2^<i>N</i>^1^:<i>N</i>^3^]]
• Authors of publication: Xu, Liping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m884
• a: 11.9439 ± 0.0015 Å
• b: 9.8058 ± 0.0013 Å
• c: 21.585 ± 0.003 Å
• α: 90°
• β: 104.212 ± 0.002°
• γ: 90°
• Cell volume: 2450.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes