Information card for entry 7237179

Structure parameters

• Common name: hexakis(1-amino-5H-tetrazolyl)copper(II) chlorate
• Chemical name: hexakis(1-amino-5H-tetrazolyl)copper(II) chlorate
• Formula: C6 H18 Cl2 Cu N30 O6
• Calculated formula: C6 H18 Cl2 Cu N30 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: 9.6517 ± 0.0003 Å
• b: 7.888 ± 0.0003 Å
• c: 17.1904 ± 0.0005 Å
• α: 90°
• β: 93.923 ± 0.002°
• γ: 90°
• Cell volume: 1305.68 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.353
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No