Information card for entry 1572658

Structure parameters

• Chemical name: (μ-pyrazine radical anion)-tetrakis(pentamethylcyclopentadienyl) -bis(tetrahydrofuran)-dysprosium(III) tetraphenylborate unknown solvate
• Formula: C76 H100 B Dy2 N2 O2
• Calculated formula: C76 H100 B Dy2 N2 O2
• 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: 15.5504 ± 0.0004 Å
• b: 20.3269 ± 0.0006 Å
• c: 24.9693 ± 0.0007 Å
• α: 90°
• β: 96.155 ± 0.002°
• γ: 90°
• Cell volume: 7847.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No