Information card for entry 8102331

Structure parameters

• Formula: C2 H12 N12 O4
• Calculated formula: C2 H12 N12 O4
• Title of publication: Crystal structure of bis(hydroxylammonium) 5,5'-azo-tetrazolate dihydrate, (NH3OH)2(C2N10) · 2H2O
• Authors of publication: Gino Bentivoglio; Gerhard Laus; Volker Kahlenberg; Gerhard Nauer; Herwig Schottenberger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 425
• a: 20.62 ± 0.004 Å
• b: 4.31 ± 0.0008 Å
• c: 15.051 ± 0.003 Å
• α: 90°
• β: 124.3 ± 0.014°
• γ: 90°
• Cell volume: 1105 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No