Information card for entry 7719025

Structure parameters

• Chemical name: diaqua bis(1-amino-5-nitriminotetrazolato) iron(II) dihydrate
• Formula: C2 H12 Fe N14 O8
• Calculated formula: C2 H12 Fe N14 O8
• 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: 6.4691 ± 0.0004 Å
• b: 6.9872 ± 0.0004 Å
• c: 8.333 ± 0.0005 Å
• α: 74.463 ± 0.002°
• β: 71.796 ± 0.002°
• γ: 86.373 ± 0.002°
• Cell volume: 344.65 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0262
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No