Information card for entry 7707742

Structure parameters

• Common name: tris(1-nitratoethyl-5H-tetrazole) dinitrato copper(II)
• Chemical name: tris(1-nitratoethyl-5H-tetrazole) dinitrato copper(II)
• Formula: C9 H15 Cu N17 O15
• Calculated formula: C9 H15 Cu N17 O15
• SMILES: [Cu](ON(=O)=O)(ON(=O)=O)([n]1nnn(c1)CCON(=O)=O)([n]1nnn(c1)CCON(=O)=O)[n]1nnn(c1)CCON(=O)=O
• 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: 20.6706 ± 0.0013 Å
• b: 7.2984 ± 0.0004 Å
• c: 16.4791 ± 0.0009 Å
• α: 90°
• β: 109.752 ± 0.007°
• γ: 90°
• Cell volume: 2339.8 ± 0.3 ų
• Cell temperature: 99 K
• Ambient diffraction temperature: 99 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: 0.0713
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No