Information card for entry 1548187

Structure parameters

• Formula: C27 H34 P Y
• Calculated formula: C27 H34 P Y
• SMILES: [Y]123456789%10%11%12([PH2]c%13c(cc(cc%13C)C)C)([cH]%13[c]4([cH]3[cH]2[cH]1%13)C)([cH]1[cH]5[c]6(C)[cH]9[cH]%101)[cH]1[c]8(C)[cH]%12[cH]%11[cH]71
• 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: 8.179 ± 0.0006 Å
• b: 24.6788 ± 0.0018 Å
• c: 11.5031 ± 0.001 Å
• α: 90°
• β: 94.707 ± 0.006°
• γ: 90°
• Cell volume: 2314 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0971
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No