Information card for entry 7034473

Structure parameters

• Common name: NH4FDNTz
• Formula: C2 H4 F N7 O4
• Calculated formula: C2 H4 F N7 O4
• SMILES: c1(C(F)(N(=O)=O)N(=O)=O)[n-]nnn1.[NH4+]
• Title of publication: 5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.
• Authors of publication: Haiges, Ralf; Christe, Karl O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10166 - 10176
• a: 13.9642 ± 0.0007 Å
• b: 8.9672 ± 0.0005 Å
• c: 13.9957 ± 0.0007 Å
• α: 90°
• β: 115.472 ± 0.0001°
• γ: 90°
• Cell volume: 1582.19 ± 0.14 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 5
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No