Information card for entry 7129256

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: 12.8314 ± 0.0005 Å
• b: 12.8314 ± 0.0005 Å
• c: 32.4133 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5336.7 ± 0.4 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 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: 0.0515
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1263
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No