Information card for entry 1573409

Structure parameters

• Chemical name: [Dy(Cp*)(BH4)2]
• Formula: C74 H154 B12 Dy6
• Calculated formula: C74 H154 B12 Dy6
• 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: 15.6166 ± 0.0003 Å
• b: 16.3417 ± 0.0005 Å
• c: 21.7358 ± 0.0005 Å
• α: 90.725 ± 0.002°
• β: 110.278 ± 0.002°
• γ: 117.066 ± 0.003°
• Cell volume: 4536 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No