Information card for entry 2225733

Structure parameters

• Chemical name: 1,5-Diaminotetrazolium chloride
• Formula: C H5 Cl N6
• Calculated formula: C H5 Cl N6
• SMILES: n1(nn[nH+]c1N)N.[Cl-]
• Title of publication: 1,5-Diaminotetrazolium chloride
• Authors of publication: Meng, Ling-Qiao; Du, Zhi-Ming; He, Chun-Lin; Cong, Xiao-Min; Yang, Shuai; Zhao, Lin-Shuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o984
• a: 12.389 ± 0.003 Å
• b: 6.45 ± 0.0012 Å
• c: 13.305 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1063.2 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes