Information card for entry 1548185

Structure parameters

• Formula: C70 H83 Dy3 P3
• Calculated formula: C70 H83 Dy3 P3
• SMILES: [Dy]123456789(P([Dy]%10%11%12%13%14%15%16%17(P([Dy]%18%19%20%21%22%23%24%25(P1c1c(cc(cc1C)C)C)([cH]1[cH]%18[c]%25([cH]%23[cH]%241)C)[cH]1[cH]%20[cH]%19[cH]%21[c]%221C)c1c(cc(cc1C)C)C)([cH]1[cH]%10[cH]%17[cH]%13[c]%161C)[c]1([cH]%14[cH]%12[cH]%15[cH]%111)C)c1c(cc(cc1C)C)C)([cH]1[cH]4[cH]2[c]7([cH]31)C)[c]1([cH]5[cH]6[cH]8[cH]91)C.c1cc(C)ccc1
• 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: 14.8907 ± 0.0006 Å
• b: 18.6253 ± 0.0008 Å
• c: 23.5996 ± 0.0009 Å
• α: 90°
• β: 103.258 ± 0.004°
• γ: 90°
• Cell volume: 6370.8 ± 0.5 ų
• Cell temperature: 150.06 ± 0.14 K
• Ambient diffraction temperature: 150.06 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No