Information card for entry 8101841

Structure parameters

• Chemical name: sodium 4-azido-1,2,3-triazolide monohydrate
• Formula: C2 H3 N6 Na O
• Calculated formula: C2 H3 N6 Na O
• Title of publication: Crystal structure of sodium 4-azido-1,2,3-triazolide monohydrate, Na(N~3~C~2~HN~3~) · H~2~O
• Authors of publication: Laus, G.; Reitsamer, C.; Wurst, K.; Schottenberger, H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 575 - 576
• a: 3.6146 ± 0.0008 Å
• b: 7.146 ± 0.001 Å
• c: 11.258 ± 0.002 Å
• α: 90°
• β: 92.02 ± 0.01°
• γ: 90°
• Cell volume: 290.61 ± 0.09 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No