Information card for entry 1548184

Structure parameters

• Formula: C27 H34 Dy P
• Calculated formula: C27 H34 Dy P
• SMILES: [Dy]123456789%10%11%12([PH2]c%13c(C)cc(cc%13C)C)([cH]%13[c]6(C)[cH]9[cH]%12[cH]7%13)([cH]6[cH]3[cH]8[cH]2[c]16C)[c]1([cH]4[cH]5[cH]%10[cH]%111)C
• 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: 8.197 ± 0.0005 Å
• b: 24.7447 ± 0.0018 Å
• c: 11.5021 ± 0.001 Å
• α: 90°
• β: 94.741 ± 0.007°
• γ: 90°
• Cell volume: 2325 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0487
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No