Information card for entry 1567906

Structure parameters

• Formula: C8 H26 F13 Fe3 N4 O
• Calculated formula: C8 H24 F13 Fe3 N4 O
• Title of publication: Layered Hybrid iron Fluorides
• Authors of publication: Li, Teng; Lightfoot, Philip
• Journal of publication: Crystals
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 1443
• a: 20.5365 ± 0.0014 Å
• b: 13.5405 ± 0.0009 Å
• c: 13.5727 ± 0.0009 Å
• α: 90°
• β: 92.588 ± 0.004°
• γ: 90°
• Cell volume: 3770.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No