Information card for entry 7237128

Structure parameters

• Common name: diaqua bis(di(5H-tetrazol1-yl)propyl) copper(II) cyanodinitromethanide
• Chemical name: diaqua bis(di(5H-tetrazol1-yl)propyl) copper(II) cyanodinitromethanide'
• Formula: C14 H20 Cu N22 O10
• Calculated formula: C14 H20 Cu N22 O10
• 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: 9.467 ± 0.0005 Å
• b: 10.314 ± 0.0005 Å
• c: 14.0761 ± 0.0007 Å
• α: 90.39 ± 0.004°
• β: 92.808 ± 0.004°
• γ: 98.412 ± 0.004°
• Cell volume: 1357.87 ± 0.12 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: 0.0371
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No