Information card for entry 4131927

Structure parameters

• Common name: dichlorato tetrakis(1-methyltetrazolyl)copper(II)
• Chemical name: dichlorato tetrakis(1-methyltetrazolyl)copper(II)
• Formula: C8 H16 Cl2 Cu N16 O6
• Calculated formula: C8 H16 Cl2 Cu N16 O6
• SMILES: c1n(C)nn[n]1[Cu]([n]1cn(C)nn1)([n]1nnn(c1)C)([n]1cn(C)nn1)(OCl(=O)=O)OCl(=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: 7.6403 ± 0.0003 Å
• b: 10.0072 ± 0.0004 Å
• c: 13.623 ± 0.0005 Å
• α: 90°
• β: 90.4 ± 0.005°
• γ: 90°
• Cell volume: 1041.56 ± 0.07 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: 0.028
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No