Information card for entry 7126245

Structure parameters

• Formula: C20 H52 B2 K O Si4 Y
• Calculated formula: C20 H52 B2 K O Si4 Y
• Title of publication: Enhanced single-molecule magnetism in dysprosium complexes of a pristine cyclobutadienyl ligand.
• Authors of publication: Durrant, James P.; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 34
• Pages of publication: 4708 - 4711
• a: 10.7817 ± 0.0004 Å
• b: 17.5986 ± 0.0005 Å
• c: 16.9013 ± 0.0006 Å
• α: 90°
• β: 91.955 ± 0.003°
• γ: 90°
• Cell volume: 3205.03 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No