Information card for entry 7237181

Structure parameters

• Common name: bis(2-aminotetrazolyl) dinitrato copper(II)
• Chemical name: bis(2-aminotetrazolyl) dinitrato copper(II)
• Formula: C2 H6 Cu N12 O6
• Calculated formula: C2 H6 Cu N12 O6
• Title of publication: Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
• Authors of publication: Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 33
• Pages of publication: 16257
• a: 7.9953 ± 0.0008 Å
• b: 8.9746 ± 0.0008 Å
• c: 8.0033 ± 0.0009 Å
• α: 90°
• β: 107.469 ± 0.012°
• γ: 90°
• Cell volume: 547.79 ± 0.1 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: 0.026
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No