Information card for entry 7707754

Structure parameters

• Common name: trinitrophloroglucinato tetrakis(2-nitratoethyl-5H-tetrazole) copper(II) di(2-nitratoethyl-5H-tetrazole)
• Chemical name: trinitrophloroglucinato tetrakis(2-nitratoethyl-5H-tetrazole) copper(II) di(2-nitratoethyl-5H-tetrazole)
• Formula: C30 H34 Cu N36 O36
• Calculated formula: C30 H34 Cu N36 O36
• 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: 8.4568 ± 0.0006 Å
• b: 11.2204 ± 0.0008 Å
• c: 16.7588 ± 0.001 Å
• α: 101.08 ± 0.005°
• β: 103.168 ± 0.005°
• γ: 107.579 ± 0.006°
• Cell volume: 1416.56 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0967
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No