Information card for entry 7057989

Structure parameters

• Common name: diaqua di(methylaminotetrazolyl) copper(II) perchlorate
• Chemical name: diaqua di(methylaminotetrazolyl) copper(II) perchlorate
• Formula: C4 H14 Cl2 Cu N10 O10
• Calculated formula: C4 H14 Cl2 Cu N10 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: 7.0476 ± 0.0003 Å
• b: 7.4569 ± 0.0003 Å
• c: 15.8059 ± 0.0006 Å
• α: 90°
• β: 96.021 ± 0.004°
• γ: 90°
• Cell volume: 826.07 ± 0.06 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: 0.0407
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No