Information card for entry 1567904

Structure parameters

• Formula: C12 H40 F18 Fe4 N6 O2
• Calculated formula: C12 H36 F18 Fe4 N6 O2
• 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: 16.9178 ± 0.0013 Å
• b: 13.6023 ± 0.001 Å
• c: 12.8848 ± 0.001 Å
• α: 90°
• β: 108.53 ± 0.003°
• γ: 90°
• Cell volume: 2811.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No