Information card for entry 8105749

Structure parameters

• Chemical name: PC-5–Py-Trz+NO3
• Formula: C5 H5 N5 O3
• Calculated formula: C5 H5 N5 O3
• Title of publication: Crystal structure of 1H-1,2,3-Triazolo[4,5-b]-pyridin-4-ium nitrate, C5H5N5O3
• Authors of publication: Zhou, Meng-Shu; Fu, Hong-Ru
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 557 - 558
• a: 13.4643 ± 0.0013 Å
• b: 6.2866 ± 0.001 Å
• c: 9.1138 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 771.43 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No