Information card for entry 7707758

Structure parameters

• Common name: hexakis(1-nitrratoethyl-5H-tetrazolyl) copper(II) dichlorate
• Chemical name: hexakis(1-nitrratoethyl-5H-tetrazolyl) copper(II) dichlorate
• Formula: C18 H30 Cl2 Cu N30 O24
• Calculated formula: C18 H30 Cl2 Cu N30 O24
• Title of publication: Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.
• Authors of publication: Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 31
• Pages of publication: 10811 - 10825
• a: 10.721 ± 0.003 Å
• b: 18.897 ± 0.005 Å
• c: 23.186 ± 0.006 Å
• α: 90°
• β: 97.284 ± 0.01°
• γ: 90°
• Cell volume: 4659 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No