Information card for entry 7237127

Structure parameters

• Common name: tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide
• Chemical name: tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide
• Formula: C15 H24 Cu N30 O8
• Calculated formula: C15 H24 Cu N30 O8
• Title of publication: Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles
• Authors of publication: Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 6565
• a: 27.0187 ± 0.001 Å
• b: 18.508 ± 0.0006 Å
• c: 15.4569 ± 0.0005 Å
• α: 90°
• β: 124.91 ± 0.001°
• γ: 90°
• Cell volume: 6338.5 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No