Information card for entry 4004050

Structure parameters

• Common name: 2
• Formula: C14 H24 Cl2 Fe2 N2 O4
• Calculated formula: C8.66667 H8.0004 Cl2 Fe0.666667 N0.666667 O4
• Title of publication: Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order
• Authors of publication: Wang, Yiran; Ziebel, Michael E.; Sun, Lei; Gish, J. Tyler; Pearson, Tyler J.; Lu, Xue-Zeng; Thorarinsdottir, Agnes E.; Hersam, Mark C.; Long, Jeffrey R.; Freedman, Danna E.; Rondinelli, James M.; Puggioni, Danilo; Harris, T. David
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 8712 - 8721
• a: 13.5717 ± 0.0018 Å
• b: 13.5717 ± 0.0018 Å
• c: 9.9759 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1591.3 ± 0.4 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 6
• Space group number: 162
• Hermann-Mauguin space group symbol: P -3 1 m
• Hall space group symbol: -P 3 2
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2595
• Weighted residual factors for all reflections included in the refinement: 0.2916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No