Information card for entry 2014815

Structure parameters

• Chemical name: poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2H-tetrazole-κ^2^N^1^:N^4^]
• Formula: C8 H12 Cl2 Cu N8
• Calculated formula: C8 H12 Cl2 Cu N8
• SMILES: [Cu]([n]1cnn(CC=C)n1)([n]1cnn(CC=C)n1)(Cl)Cl
• Title of publication: Coordination polymers formed by bridging 2-substituted tetrazole ligands: poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^] and poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]
• Authors of publication: Lyakhov, Alexander S.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m158 - m160
• a: 8.524 ± 0.003 Å
• b: 8.855 ± 0.003 Å
• c: 9.593 ± 0.002 Å
• α: 90°
• β: 105.51 ± 0.02°
• γ: 90°
• Cell volume: 697.7 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes