Information card for entry 7718534

Structure parameters

• Formula: C96 H114 Cl O8 Y
• Calculated formula: C96 H114 Cl O8 Y
• 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: 12.0671 ± 0.0001 Å
• b: 15.4384 ± 0.0002 Å
• c: 23.3235 ± 0.0002 Å
• α: 104.073 ± 0.001°
• β: 91.563 ± 0.001°
• γ: 94.209 ± 0.001°
• Cell volume: 4198.74 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0416
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No