Information card for entry 7711708

Structure parameters

• Formula: C44 H40 Cl2 Fe
• Calculated formula: C44 H40 Cl2 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: 22.1189 ± 0.0002 Å
• b: 19.6861 ± 0.0002 Å
• c: 24.7347 ± 0.0002 Å
• α: 90°
• β: 95.993 ± 0.001°
• γ: 90°
• Cell volume: 10711.5 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• 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: No
• Has Fobs: No