Information card for entry 4303345

Structure parameters

• Common name: Bariumtetrazol-5-carboxylate
• Formula: C2 H6 Ba N4 O5
• Calculated formula: C2 H6 Ba N4 O5
• Title of publication: Tetrazole-5-carboxylic Acid Based Salts of Earth Alkali and Transition Metal Cations
• Authors of publication: Vera Hartdegen; Thomas M. Klapötke; Stefan M. Sproll
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9549 - 9556
• a: 6.6773 ± 0.0002 Å
• b: 11.4639 ± 0.0004 Å
• c: 10.0846 ± 0.0003 Å
• α: 90°
• β: 90.856 ± 0.003°
• γ: 90°
• Cell volume: 771.87 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0266
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No