Information card for entry 7237130

Structure parameters

• Common name: tris(1,1-ditetrazolylpropane) iron(II) perchlorate
• Chemical name: tris(1,1-ditetrazolylpropane) iron(II) perchlorate
• Formula: C15 H24 Cl2 Fe N24 O8
• Calculated formula: C15 H24 Cl2 Fe N24 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: 10.945 ± 0.0004 Å
• b: 10.945 ± 0.0004 Å
• c: 14.517 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1506.05 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No