Information card for entry 7042504

Structure parameters

• Common name: barium 1,1-dinitramino-5,5-bitetrazolate hexahydrate
• Chemical name: barium 1,1-dinitramino-5,5-bitetrazolate hexahydrate
• Formula: C2 H12 Ba N12 O10
• Calculated formula: C2 H12 Ba N12 O10
• Title of publication: Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.
• Authors of publication: Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5033 - 5040
• a: 8.9593 ± 0.0003 Å
• b: 9.5952 ± 0.0003 Å
• c: 17.9981 ± 0.0006 Å
• α: 90°
• β: 92.798 ± 0.001°
• γ: 90°
• Cell volume: 1545.39 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.434
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No