Information card for entry 1548186

Structure parameters

• Formula: C194 H286 Dy6 Li O17 P6
• Calculated formula: C194 H286 Dy6 Li6 O17 P6
• Title of publication: Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands
• Authors of publication: Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 7492
• a: 22.321 ± 0.0005 Å
• b: 15.7702 ± 0.0003 Å
• c: 27.9921 ± 0.0007 Å
• α: 90°
• β: 95.319 ± 0.002°
• γ: 90°
• Cell volume: 9811 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No