Information card for entry 4131930

Structure parameters

• Common name: tris(4-amino-1,2,4-triazolyl) copper(II) chlorate
• Chemical name: tris(4-amino-1,2,4-triazolyl) copper(II) chlorate
• Formula: C6 H12 Cl2 Cu N12 O6
• Calculated formula: C6 H12 Cl2 Cu N12 O6
• Title of publication: Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.
• Authors of publication: Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 9
• Pages of publication: 3206 - 3209
• a: 13.5622 ± 0.0016 Å
• b: 15.5713 ± 0.0018 Å
• c: 7.7338 ± 0.0015 Å
• α: 90°
• β: 91.559 ± 0.012°
• γ: 90°
• Cell volume: 1632.6 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No