Information card for entry 7237168

Structure parameters

• Common name: hexakis(1-aminotetrazolyl)copper(II) perchlorate
• Chemical name: hexakis(1-aminotetrazolyl)copper(II) perchlorate
• Formula: C6 H18 Cl2 Cu N30 O8
• Calculated formula: C6 H18 Cl2 Cu N30 O8
• 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: 21.8207 ± 0.0004 Å
• b: 21.8207 ± 0.0004 Å
• c: 6.9043 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2847 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No