Information card for entry 7237132

Structure parameters

• Common name: 1,3-di(tetrazol-2-yl)propane
• Chemical name: 1,3-di(tetrazol-2-yl)propane
• Formula: C5 H8 N8
• Calculated formula: C5 H8 N8
• Title of publication: Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles
• Authors of publication: Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 6565
• a: 11.671 ± 0.0006 Å
• b: 4.7586 ± 0.0002 Å
• c: 15.1639 ± 0.0007 Å
• α: 90°
• β: 105.362 ± 0.005°
• γ: 90°
• Cell volume: 812.08 ± 0.07 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No