Information card for entry 7128797

Structure parameters

• Chemical name: [Y(OAr)2Cl2][Na(THF)6].3THF
• Formula: C96 H154 Cl2 Na O11 Y
• Calculated formula: C96 H154 Cl2 Na O11 Y
• Title of publication: Slow magnetic relaxation in distorted tetrahedral Dy(III) aryloxide complexes.
• Authors of publication: Parmar, Vijay S.; Gransbury, Gemma K.; Whitehead, George F. S.; Mills, David P.; Winpenny, Richard E. P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9208 - 9211
• a: 11.3031 ± 0.0004 Å
• b: 46.2765 ± 0.0015 Å
• c: 16.8926 ± 0.0007 Å
• α: 90°
• β: 94.26 ± 0.004°
• γ: 90°
• Cell volume: 8811.6 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1349
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No