Information card for entry 7707744

Structure parameters

• Common name: bis(2-nitratoethyl-5H-tetrazole) trinitrophloroglucinato copper(II)
• Chemical name: bis(2-nitratoethyl-5H-tetrazole) trinitrophloroglucinato copper(II)
• Formula: C12 H11 Cu N13 O15
• Calculated formula: C12 H11 Cu N13 O15
• 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: 10.3415 ± 0.0006 Å
• b: 10.4028 ± 0.0006 Å
• c: 10.8539 ± 0.0006 Å
• α: 71.766 ± 0.005°
• β: 78.429 ± 0.005°
• γ: 80.742 ± 0.005°
• Cell volume: 1080.44 ± 0.11 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: 0.0451
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No