Information card for entry 7131351

Structure parameters

• Formula: C58 H58 B Dy F20
• Calculated formula: C58 H58 B Dy F20
• Title of publication: Influence of pressure on a dysprosocenium single-molecule magnet.
• Authors of publication: Parmar, Vijay S.; Thiel, Andreas M.; Nabi, Rizwan; Gransbury, Gemma K.; Norre, Marie S.; Evans, Peter; Corner, Sophie C.; Skelton, Jonathan M.; Chilton, Nicholas F.; Mills, David P.; Overgaard, Jacob
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 18
• Pages of publication: 2656 - 2659
• a: 11.287 ± 0.003 Å
• b: 11.804 ± 0.004 Å
• c: 18.747 ± 0.014 Å
• α: 107.27 ± 0.05°
• β: 95.31 ± 0.04°
• γ: 100.58 ± 0.03°
• Cell volume: 2316 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 3520000 kPa
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2501
• Residual factor for significantly intense reflections: 0.1524
• Weighted residual factors for significantly intense reflections: 0.3403
• Weighted residual factors for all reflections included in the refinement: 0.3967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No