Information card for entry 2013275

Structure parameters

• Chemical name: poly[[[di-μ-chloro-bis[chloro(2-ethyltetrazole-kN^4^)copper(II)]]- di-μ-ethyltetrazole-k^2^N^1^:N^4^]
• Formula: C6 H12 Cl2 Cu N8
• Calculated formula: C6 H12 Cl2 Cu N8
• SMILES: c1[n]([Cu](Cl)(Cl)[n]2cnn(CC)n2)nn(CC)n1
• Title of publication: The layered structure of poly[[di-μ-chloro-bis[chloro(2-ethyltetrazole-κ<i>N</i>^4^)copper(II)]]-di-μ-2-ethyltetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]
• Authors of publication: Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m204 - m206
• a: 10.234 ± 0.002 Å
• b: 13.69 ± 0.004 Å
• c: 10.478 ± 0.002 Å
• α: 90°
• β: 119.174 ± 0.015°
• γ: 90°
• Cell volume: 1281.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0374
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes