Information card for entry 7716080

Structure parameters

• Formula: C32 H35 B Dy F7 N9 O2 P
• Calculated formula: C32 H35 B Dy F7 N9 O2 P
• SMILES: [Dy]12345(F)([O]6CCCC6)([n]6ccccc6c6[n]2n(cc6)[BH](n2[n]5c(cc2)c2[n]1cccc2)n1[n]4c(cc1)c1[n]3cccc1)[O]1CCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Approaching the 1000 K energy barrier in high coordinate lanthanide single-ion magnets: Increasing <i>U</i>_eff in the [Dy(Tp^2-py)F]⁺ moiety with tetrahydrofuran.
• Authors of publication: Thomas, Jarrod R.; Giansiracusa, Marcus J.; Sulway, Scott A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9252 - 9256
• a: 31.5818 ± 0.0013 Å
• b: 12.2694 ± 0.0005 Å
• c: 22.8942 ± 0.0009 Å
• α: 90°
• β: 125.283 ± 0.001°
• γ: 90°
• Cell volume: 7241.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No