Information card for entry 7127570

Structure parameters

• Formula: C98 H130 B3 Dy N4 O6
• Calculated formula: C97.5 H130 B3 Dy N4 O6
• Title of publication: Insights into <i>D</i>_4h@metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex.
• Authors of publication: Thomas-Hargreaves, Lewis R; Hunger, David; Kern, Michal; Wooles, Ashley J.; van Slageren, Joris; Chilton, Nicholas F.; Liddle, Stephen T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 733 - 736
• a: 23.5114 ± 0.0003 Å
• b: 19.5012 ± 0.0003 Å
• c: 19.881 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9115.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No