Information card for entry 2015359

Structure parameters

• Chemical name: Bis(1-methyl-1H-tetrazol-5-yl)diazene
• Formula: C4 H6 N10
• Calculated formula: C4 H6 N10
• SMILES: n1(nnnc1N=Nc1n(nnn1)C)C
• Title of publication: Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]
• Authors of publication: Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m223 - m226
• a: 6.889 ± 0.002 Å
• b: 9.684 ± 0.003 Å
• c: 12.719 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 848.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No