Information card for entry 4131926

Structure parameters

• Common name: tetrakis(1-methyl-5-aminotetrazolyl) chlorato copper(II) chlorate
• Chemical name: tetrakis(1-methyl-5-aminotetrazolyl) chlorato copper(II) chlorate
• Formula: C8 H20 Cl2 Cu N20 O6
• Calculated formula: C8 H20 Cl2 Cu N20 O6
• SMILES: [Cu](OCl(=O)=O)([n]1nnn(c1N)C)([n]1nnn(c1N)C)([n]1nnn(c1N)C)[n]1nnn(c1N)C.Cl(=O)(=O)[O-]
• 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: 13.1028 ± 0.001 Å
• b: 10.7288 ± 0.0008 Å
• c: 16.2265 ± 0.0014 Å
• α: 90°
• β: 95.036 ± 0.007°
• γ: 90°
• Cell volume: 2272.3 ± 0.3 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: 0.1099
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2388
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No