Information card for entry 2013237

Structure parameters

• Formula: C12 H20 Cl4 Cu2 N16
• Calculated formula: C12 H20 Cl4 Cu2 N16
• SMILES: [Cu]12(Cl)([Cl][Cu]([Cl]1)Cl)[n]1nnn(C)c1CCc1n(C)nn[n]1[Cu]1([n]3nnn(c3CCc3n(nn[n]23)C)C)(Cl)[Cl][Cu]([Cl]1)(Cl)([n]1nnn(c1CCc1n(nnn1)C)C)[n]1nnn(c1CCc1n(nnn1)C)C
• Title of publication: <i>catena</i>-Poly[[bis[μ-1,2-bis(1-methyltetrazol-5-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[chlorocopper(II)]]-di-μ-chloro]
• Authors of publication: Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Pytleva, Dariya S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m221 - m223
• a: 6.732 ± 0.001 Å
• b: 11.5 ± 0.002 Å
• c: 14.64 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1133.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes