Information card for entry 1567905

Structure parameters

• Formula: C4 H14 F5 Fe N2 O
• Calculated formula: C4 H14 F5 Fe N2 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: 11.4695 ± 0.0008 Å
• b: 5.8774 ± 0.0004 Å
• c: 13.609 ± 0.001 Å
• α: 90°
• β: 91.553 ± 0.006°
• γ: 90°
• Cell volume: 917.06 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No