Information card for entry 1544647

Structure parameters

• Chemical name: 1-Y
• Formula: C70 H83 Sb3 Y3
• Calculated formula: C70 H83 Sb3 Y3
• SMILES: [cH]12[cH]3[cH]4[Y]56789%1013([c]1(C)[cH]6[cH]7[cH]8[cH]91)([cH]4[c]25C)[Sb]([Y]12345678([cH]9[cH]1[cH]2[cH]3[c]49C)([cH]1[cH]5[cH]6[cH]7[c]81C)[Sb]([Y]12345678([cH]9[cH]1[cH]2[cH]3[c]49C)([cH]1[cH]5[cH]6[cH]7[c]81C)[Sb]%10c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(C)cc1C)C.c1ccccc1C
• 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: 15.1052 ± 0.0002 Å
• b: 18.7715 ± 0.0002 Å
• c: 24.1263 ± 0.0003 Å
• α: 90°
• β: 103.437 ± 0.001°
• γ: 90°
• Cell volume: 6653.68 ± 0.14 ų
• Cell temperature: 150.02 ± 0.11 K
• Ambient diffraction temperature: 150.02 ± 0.11 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: 0.0241
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No