Information card for entry 2017503

Structure parameters

• Chemical name: 5-ammoniomethyl-1<i>H</i>-tetrazolide
• Formula: C2 H5 N5
• Calculated formula: C2 H5 N5
• SMILES: [n-]1nnnc1C[NH3+]
• Title of publication: A tetrazol-5-yl analogue of glycine, 5-ammoniomethyl-1<i>H</i>-tetrazolide, and its copper(II) complex
• Authors of publication: Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m22 - m25
• a: 7.3048 ± 0.0011 Å
• b: 7.3048 ± 0.0011 Å
• c: 6.9003 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 318.87 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes