Information card for entry 1558078

Structure parameters

• Formula: C70 H74 B2 Dy2 F20
• Calculated formula: C70 H74 B2 Dy2 F20
• Title of publication: Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.
• Authors of publication: He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 5745 - 5752
• a: 18.1029 ± 0.0005 Å
• b: 20.9327 ± 0.0004 Å
• c: 19.4229 ± 0.0005 Å
• α: 90°
• β: 111.812 ± 0.003°
• γ: 90°
• Cell volume: 6833.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No