Information card for entry 7718535

Structure parameters

• Chemical name: [Dy(OPh*)2(THF)3Br]
• Formula: C93 H111 Br Dy O5
• Calculated formula: C93 H111 Br Dy O5
• Title of publication: Direct characterisation of <i>m</i>_<i>J</i> = ±15/2 ground state in octahedral Dy(III) single-molecule magnets.
• Authors of publication: Parmar, Vijay S.; Gransbury, Gemma K.; Corner, Sophie C.; Chou, Wei-Hao; Hill, Stephen; Winpenny, Richard E. P.; Chilton, Nicholas F.; Mills, David P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 7616 - 7620
• a: 12.1093 ± 0.0004 Å
• b: 15.3634 ± 0.0007 Å
• c: 23.6294 ± 0.0009 Å
• α: 105.495 ± 0.004°
• β: 93.553 ± 0.003°
• γ: 94.744 ± 0.003°
• Cell volume: 4205.5 ± 0.3 ų
• Cell temperature: 150.03 ± 0.1 K
• Ambient diffraction temperature: 150.03 ± 0.1 K
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No