Information card for entry 1508432

Structure parameters

• Formula: C5 H12 N5 P
• Calculated formula: C5 H12 N5 P
• Title of publication: Synthesis and Crystal Structures of New 5,5'-Azotetrazolates
• Authors of publication: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 127 - 136
• a: 5.9035 ± 0.0009 Å
• b: 13.388 ± 0.002 Å
• c: 11.3173 ± 0.0019 Å
• α: 90°
• β: 93.941 ± 0.017°
• γ: 90°
• Cell volume: 892.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No