Information card for entry 7707755

Structure parameters

• Common name: bis(1-nitratoethyl-5H-tetrazole) dipicrato copper(II)
• Chemical name: bis(1-nitratoethyl-5H-tetrazole) dipicrato copper(II)
• Formula: C18 H14 Cu N16 O20
• Calculated formula: C18 H14 Cu N16 O20
• 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: 8.0432 ± 0.0004 Å
• b: 17.7448 ± 0.0008 Å
• c: 21.2063 ± 0.0011 Å
• α: 90°
• β: 96.689 ± 0.002°
• γ: 90°
• Cell volume: 3006.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No