Information card for entry 1572661

Structure parameters

• Chemical name: tetrakis(μ-pyrazine radical anion)-octakis(pentamethylcyclopentadienyl) -tetra-gadolinium(III) tetrahydrofuran solvate
• Formula: C136 H216 Gd4 N8 O10
• Calculated formula: C136 H216 Gd4 N8 O10
• Title of publication: Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes
• Authors of publication: Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee
• Journal of publication: CHEM
• Year of publication: 2024
• Journal volume: 10
• Pages of publication: 2484 - 2499
• a: 13.2525 ± 0.0006 Å
• b: 16.5811 ± 0.0007 Å
• c: 17.3758 ± 0.0007 Å
• α: 62.586 ± 0.002°
• β: 89.513 ± 0.002°
• γ: 78.844 ± 0.002°
• Cell volume: 3311.1 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No