Information card for entry 7112466

Structure parameters

• Formula: C96 H106 B2 Dy2 F48 N8 O2
• Calculated formula: C96 H106 B2 Dy2 F48 N8 O2
• Title of publication: A hydride-ligated dysprosium single-molecule magnet.
• Authors of publication: Venugopal, Ajay; Tuna, Floriana; Spaniol, Thomas P.; Ungur, Liviu; Chibotaru, Liviu F.; Okuda, Jun; Layfield, Richard A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 901 - 903
• a: 12.8156 ± 0.0008 Å
• b: 13.9466 ± 0.0008 Å
• c: 17.286 ± 0.001 Å
• α: 69.1184 ± 0.0008°
• β: 70.1955 ± 0.0009°
• γ: 80.8857 ± 0.0009°
• Cell volume: 2713.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108782
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No