Information card for entry 7060638

Structure parameters

• Common name: diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate
• Chemical name: diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate
• Formula: C48 H86 Cl4 Fe2 N32 O20
• Calculated formula: C48 H86 Cl4 Fe2 N32 O20
• Title of publication: Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles
• Authors of publication: Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 11042 - 11050
• a: 10.9841 ± 0.0004 Å
• b: 11.8637 ± 0.0005 Å
• c: 15.0067 ± 0.0009 Å
• α: 112.565 ± 0.005°
• β: 90.518 ± 0.004°
• γ: 96.245 ± 0.003°
• Cell volume: 1792.38 ± 0.16 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No