Information card for entry 7719023

Structure parameters

• Chemical name: 1,4-ditetrazol-1-yl-propane bis(1-amino-5-nitriminotetrazolato) copper(II)
• Formula: C12 H20 Cu N30 O4
• Calculated formula: C12 H20 Cu N30 O4
• Title of publication: 1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.
• Authors of publication: Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 6156 - 6166
• a: 7.1719 ± 0.0005 Å
• b: 8.6415 ± 0.0006 Å
• c: 10.9893 ± 0.0009 Å
• α: 81.323 ± 0.006°
• β: 77.233 ± 0.006°
• γ: 86.399 ± 0.006°
• Cell volume: 656.32 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0595
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No