Information card for entry 4335266

Structure parameters

• Common name: CsTNTz
• Chemical name: cesium 5-trinitromethyltetrazolate
• Formula: C2 Cs N7 O6
• Calculated formula: C2 Cs N7 O6
• Title of publication: Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles
• Authors of publication: Ralf Haiges; Karl O. Christe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7249 - 7260
• a: 5.9537 ± 0.0002 Å
• b: 7.7298 ± 0.0002 Å
• c: 10.0994 ± 0.0003 Å
• α: 84.2842 ± 0.0005°
• β: 79.0115 ± 0.0005°
• γ: 87.5204 ± 0.0005°
• Cell volume: 453.85 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0126
• Residual factor for significantly intense reflections: 0.0118
• Weighted residual factors for significantly intense reflections: 0.0279
• Weighted residual factors for all reflections included in the refinement: 0.0281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No