Information card for entry 7707747

Structure parameters

• Common name: trinitroresorcinato di(2-nitratoethyl-5H-tetrazolyl copper(II)
• Chemical name: trinitroresorcinato di(2-nitratoethyl-5H-tetrazolyl copper(II)
• Formula: C12 H11 Cu N13 O14
• Calculated formula: C12 H11 Cu N13 O14
• 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: 10.1859 ± 0.0008 Å
• b: 10.4855 ± 0.0008 Å
• c: 10.8414 ± 0.0007 Å
• α: 72.332 ± 0.006°
• β: 77.521 ± 0.006°
• γ: 81.225 ± 0.006°
• Cell volume: 1072.51 ± 0.14 ų
• Cell temperature: 102 K
• Ambient diffraction temperature: 102 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No