Information card for entry 7057986

Structure parameters

• Common name: diaqua tetrakis(2-methyltetrazolyl) copper(II) diperchlorate
• Chemical name: diaqua tetrakis(2-methyltetrazolyl) copper(II) diperchlorate
• Formula: C8 H20 Cl2 Cu N16 O10
• Calculated formula: C8 H20 Cl2 Cu N16 O10
• Title of publication: 2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes: manipulating coordination chemistry and derived energetic properties
• Authors of publication: Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Stierstorfer, Jörg
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 609
• a: 7.9548 ± 0.0003 Å
• b: 14.4157 ± 0.0006 Å
• c: 10.8494 ± 0.0004 Å
• α: 90°
• β: 95.303 ± 0.003°
• γ: 90°
• Cell volume: 1238.82 ± 0.08 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: 0.0554
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No