Information card for entry 7129255

Structure parameters

• Chemical name: tetrakis(dipyridylformamidinato)triiron(II) bis(tetrafluoroborate) acetonitrile solvate'
• Formula: C44 H36 Fe3 N16
• Calculated formula: C44 H36 Fe3 N16
• Title of publication: A Linear Metal-Metal Bonded Tri-Iron Single-Molecule Magnet
• Authors of publication: Srinivasan, Anandi; Musgrave, Rebecca A.; Rouzieres, Mathieu; Clerac, Rodolphe; McGrady, John E.; Hillard, Elizabeth A.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 12.7015 ± 0.001 Å
• b: 12.7015 ± 0.001 Å
• c: 32.268 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5205.7 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0663
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No