Information card for entry 2013057

Structure parameters

• Chemical name: Dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN^4^)methanamine- κN]copper(II)
• Formula: C5 H11 Cl2 Cu N5
• Calculated formula: C5 H11 Cl2 Cu N5
• SMILES: n1(nn[n]2c1C[N](C)(C)[Cu]2(Cl)Cl)C
• Title of publication: Dichloro[<i>N</i>,<i>N</i>-dimethyl-1-(1-methyl-1<i>H</i>-tetrazol-5-yl-κ<i>N</i>^4^)methanamine-κ<i>N</i>]copper(II)
• Authors of publication: Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m563 - m564
• a: 18.043 ± 0.003 Å
• b: 7.1948 ± 0.0013 Å
• c: 18.048 ± 0.003 Å
• α: 90°
• β: 118.205 ± 0.013°
• γ: 90°
• Cell volume: 2064.7 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes