Information card for entry 7716079

Structure parameters

• Formula: C33 H36.5 B F7 N9.5 O2 P Y
• Calculated formula: C33 H36.5 B F7 N9.5 O2 P Y
• 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: 31.635 ± 0.002 Å
• b: 12.2783 ± 0.0007 Å
• c: 22.9447 ± 0.0014 Å
• α: 90°
• β: 125.349 ± 0.002°
• γ: 90°
• Cell volume: 7269.2 ± 0.8 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: 0.0464
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No