Information card for entry 1508434

Structure parameters

• Formula: C6 H14 N6 O
• Calculated formula: C6 H14 N6 O
• 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: 5.49 ± 0.0004 Å
• b: 8.4206 ± 0.0006 Å
• c: 10.3003 ± 0.0006 Å
• α: 78.564 ± 0.005°
• β: 85.796 ± 0.006°
• γ: 81.876 ± 0.006°
• Cell volume: 461.53 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No