Information card for entry 4104818

Structure parameters

• Formula: C96 H164 Dy2 K N2 O14
• Calculated formula: C96 H164 Dy2 K N2 O14
• 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: 12.8686 ± 0.0006 Å
• b: 13.3829 ± 0.0006 Å
• c: 16.2559 ± 0.0007 Å
• α: 109.267 ± 0.0007°
• β: 99.9592 ± 0.0008°
• γ: 104.579 ± 0.0008°
• Cell volume: 2455.21 ± 0.19 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No