Information card for entry 4303344

Structure parameters

• Common name: strontiumtetrazol-5-carboxylate
• Formula: C2 H4 N4 O4.75 Sr
• Calculated formula: C2 H4 N4 O4.75 Sr
• SMILES: c1(C(=O)[O-])[n-]nnn1.O.[Sr+2].O.O
• 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: 12.9854 ± 0.0002 Å
• b: 12.9854 ± 0.0002 Å
• c: 8.8601 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1494 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No