Information card for entry 2012719

Structure parameters

• Chemical name: catena-Poly-[[bis(cis-1-tert-butyltetrazole-κN^4^)copper(II)]-di-μ-chloro]
• Formula: C10 H20 Cl2 Cu N8
• Calculated formula: C10 H20 Cl2 Cu N8
• SMILES: [Cu]1([n]2nnn(c2)C(C)(C)C)([Cl][Cu]([Cl]1)(Cl)([n]1cn(C(C)(C)C)nn1)[n]1cn(C(C)(C)C)nn1)(Cl)[n]1cn(C(C)(C)C)nn1
• Title of publication: <i>catena</i>-Poly[[bis(<i>cis</i>-1-<i>tert</i>-butyltetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-chloro]
• Authors of publication: Ivashkevich, Dmitry O.; Degtyarik, Mikhail M.; Gaponik, Pavel N.; Lyakhov, Alexander S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m288 - m289
• a: 13.389 ± 0.003 Å
• b: 7.146 ± 0.001 Å
• c: 19.473 ± 0.004 Å
• α: 90°
• β: 108.57 ± 0.03°
• γ: 90°
• Cell volume: 1766.1 ± 0.7 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: 0.058
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes