Information card for entry 7711707

Structure parameters

• Formula: C52 H58 Fe
• Calculated formula: C52 H58 Fe
• Title of publication: Slow magnetic relaxation in Fe(II) m-terphenyl complexes
• Authors of publication: Valentine, Andrew James; Geer, Ana M.; Blundell, Toby; Tovey, Will; Cliffe, Matthew; Davies, Edward Stephen; Argent, Stephen; Lewis, William; McMaster, Jonathan; Taylor, Laurence John; Reta, Daniel; Kays, Deborah Lorraine
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.9745 ± 0.0014 Å
• b: 16.9307 ± 0.0018 Å
• c: 20.1943 ± 0.0015 Å
• α: 90°
• β: 96.822 ± 0.008°
• γ: 90°
• Cell volume: 4404.6 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No