Information card for entry 7128395

Structure parameters

• Formula: C78 H136 B3 Dy3
• Calculated formula: C78 H136 B3 Dy3
• Title of publication: Synthesis and single-molecule magnet properties of a trimetallic dysprosium metallocene cation.
• Authors of publication: He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 52
• Pages of publication: 6396 - 6399
• a: 14.1448 ± 0.0001 Å
• b: 21.9288 ± 0.0001 Å
• c: 26.0721 ± 0.0002 Å
• α: 90°
• β: 98.309 ± 0.001°
• γ: 90°
• Cell volume: 8002.12 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No