Information card for entry 2202249

Structure parameters

• Chemical name: catena-poly[[(2-tert-butyltetrazole-κN^4^)copper(II)]-di-μ-chloro]
• Formula: C5 H10 Cl2 Cu N4
• Calculated formula: C5 H10 Cl2 Cu N4
• SMILES: [Cu]1(Cl)(Cl)([Cl][Cu]([Cl]1)[n]1nn(nc1)C(C)(C)C)[n]1nn(nc1)C(C)(C)C
• Title of publication: The chain structure of <i>catena</i>-poly[[(2-<i>tert</i>-butyltetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-chloro]
• Authors of publication: Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: m38 - m40
• a: 6.1054 ± 0.0015 Å
• b: 9.598 ± 0.003 Å
• c: 9.813 ± 0.003 Å
• α: 108.92 ± 0.02°
• β: 106.899 ± 0.019°
• γ: 97.39 ± 0.02°
• Cell volume: 504.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes