Information card for entry 1573412

Structure parameters

• Chemical name: [Y(Cp*)(BH4)2]
• Formula: C40 H92 B8 Y4
• Calculated formula: C40 H92 B8 Y4
• Title of publication: A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.
• Authors of publication: Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 610 - 620
• a: 16.9654 ± 0.0002 Å
• b: 21.7125 ± 0.0002 Å
• c: 14.5559 ± 0.0001 Å
• α: 90°
• β: 90.735 ± 0.001°
• γ: 90°
• Cell volume: 5361.39 ± 0.09 ų
• Cell temperature: 99.97 ± 0.12 K
• Ambient diffraction temperature: 99.97 ± 0.12 K
• Number of distinct elements: 4
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No