Information card for entry 1544646

Structure parameters

• Chemical name: 1-Dy
• Formula: C70 H83 Dy3 Sb3
• Calculated formula: C70 H83 Dy3 Sb3
• SMILES: [cH]12[cH]3[cH]4[cH]5[c]1(C)[Dy]167892345([cH]2[cH]1[cH]6[cH]8[c]92C)[Sb]([Dy]12345689([Sb](c%10c(cc(C)cc%10C)C)[Dy]%10%11%12%13%14%15%16%17([Sb]7c7c(cc(cc7C)C)C)([cH]7[cH]%10[cH]%11[cH]%12[c]%137C)[cH]7[cH]%14[cH]%15[cH]%16[c]%177C)([cH]7[cH]1[cH]2[cH]3[c]47C)[cH]1[cH]5[cH]6[cH]8[c]91C)c1c(cc(cc1C)C)C.c1cccc(c1)C
• Title of publication: Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.
• Authors of publication: Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2073 - 2080
• a: 15.113 ± 0.0002 Å
• b: 18.7437 ± 0.0002 Å
• c: 24.0965 ± 0.0003 Å
• α: 90°
• β: 103.339 ± 0.001°
• γ: 90°
• Cell volume: 6641.75 ± 0.14 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0303
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No