Information card for entry 4131931

Structure parameters

• Common name: bis(ditetrazolylbutane) copper(II) chlorate
• Chemical name: bis(ditetrazolylbutane) copper(II) chlorate
• Formula: C12 H20 Cl2 Cu N16 O6
• Calculated formula: C12 H20 Cl2 Cu N16 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: 10.7286 ± 0.0006 Å
• b: 6.8178 ± 0.0004 Å
• c: 15.5263 ± 0.0012 Å
• α: 90°
• β: 100.469 ± 0.006°
• γ: 90°
• Cell volume: 1116.77 ± 0.13 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No