Information card for entry 7237175

Structure parameters

• Common name: hexakis(2-aminotetrazolyl)iron(II) diperchlorate *2 2-aminotetrazole
• Chemical name: hexakis(2-aminotetrazolyl)iron(II) diperchlorate *2 2-aminotetrazole
• Formula: C8 H24 Cl2 Fe N40 O8
• Calculated formula: C8 H24 Cl2 Fe N40 O8
• Title of publication: Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
• Authors of publication: Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 33
• Pages of publication: 16257
• a: 8.515 ± 0.0003 Å
• b: 10.83 ± 0.0005 Å
• c: 19.305 ± 0.0008 Å
• α: 79.072 ± 0.004°
• β: 86.098 ± 0.003°
• γ: 86.476 ± 0.003°
• Cell volume: 1741.78 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No