Information card for entry 7057985

Structure parameters

• Common name: diaqua tetrakis(2-methyl-5-aminotetrazolyl) copper(II) diperchlorate hydrate
• Chemical name: diaqua tetrakis(2-methyl-5-aminotetrazolyl) copper(II) diperchlorate hydrate
• Formula: C8 H26 Cl2 Cu N20 O11
• Calculated formula: C8 H26 Cl2 Cu N20 O11
• 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: 37.8504 ± 0.0012 Å
• b: 18.5558 ± 0.0005 Å
• c: 18.0159 ± 0.0005 Å
• α: 90°
• β: 116.272 ± 0.003°
• γ: 90°
• Cell volume: 11346.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.168
• 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: Yes
• Has Fobs: No