Information card for entry 4104817

Structure parameters

• Formula: C86 H132 Dy2 N2 O8
• Calculated formula: C86 H132 Dy2 N2 O8
• SMILES: O(c1c(cccc1C(C)(C)C)C(C)(C)C)[Dy]1([O]2CCCC2)([O]2CCCC2)([N]2=[N]1[Dy]2(Oc1c(cccc1C(C)(C)C)C(C)(C)C)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)Oc1c(cccc1C(C)(C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Isolation of Dysprosium and Yttrium Complexes of a Three-Electron Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical
• Authors of publication: William J. Evans; Ming Fang; Gaël Zucchi; Filipp Furche; Joseph W. Ziller; Ryan M. Hoekstra; Jeffrey I. Zink
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11195 - 11202
• a: 15.5427 ± 0.0005 Å
• b: 12.0654 ± 0.0004 Å
• c: 24.6783 ± 0.0008 Å
• α: 90°
• β: 105.225 ± 0.001°
• γ: 90°
• Cell volume: 4465.5 ± 0.3 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No