Information card for entry 7707753

Structure parameters

• Common name: trinitrophloroglucinato tetrakis(1-nitratoethyl-5H-tetrazole) copper(II)
• Chemical name: trinitrophloroglucinato tetrakis(1-nitratoethyl-5H-tetrazole) copper(II)
• Formula: C24 H24 Cu N26 O30
• Calculated formula: C24 H24 Cu N26 O30
• 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: 9.004 ± 0.0007 Å
• b: 10.8642 ± 0.0009 Å
• c: 12.9713 ± 0.0012 Å
• α: 87.922 ± 0.007°
• β: 69.74 ± 0.008°
• γ: 67.742 ± 0.008°
• Cell volume: 1095.07 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1156
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No