Information card for entry 1544645

Structure parameters

• Chemical name: 2-Dy
• Formula: C70 H83 Dy3 Sb4
• Calculated formula: C70 H83 Dy3 Sb4
• SMILES: [Dy]123456789([cH]%10[c]4([cH]3[cH]2[cH]1%10)C)([cH]1[cH]5[cH]6[cH]7[c]81C)[Sb]([Sb]([Sb]91c2c(cc(cc2C)C)C)[Sb]2([Dy]13456789%10([cH]1[c]4([cH]3[cH]9[cH]1%10)C)[cH]1[c]8([cH]7[cH]6[cH]51)C)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)[Dy]134567892([cH]2[cH]1[cH]9[cH]3[c]42C)[cH]1[c]8([cH]7[cH]6[cH]51)C.c1cccc(C)c1
• 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: 14.8968 ± 0.0003 Å
• b: 19.3308 ± 0.0004 Å
• c: 24.2616 ± 0.0005 Å
• α: 90°
• β: 106.568 ± 0.002°
• γ: 90°
• Cell volume: 6696.5 ± 0.2 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No