Information card for entry 4324450

Structure parameters

• Formula: C60 H144 K N6 O12 Si8 Y2
• Calculated formula: C60 H144 K N6 O12 Si8 Y2
• Title of publication: (N2)3- Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2- and (N2)3- Complexes and Density Functional Theory Comparisons of Closed Shell Sc3+, Y3+, and Lu3+ versus 4f9 Dy3+
• Authors of publication: Ming Fang; Jefferson E. Bates; Sara E. Lorenz; David S. Lee; Daniel B. Rego; Joseph W. Ziller; Filipp Furche; William J. Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1459 - 1469
• a: 10.4483 ± 0.0007 Å
• b: 13.7447 ± 0.0009 Å
• c: 16.9943 ± 0.0011 Å
• α: 70.4402 ± 0.0008°
• β: 77.3142 ± 0.0008°
• γ: 70.84 ± 0.0008°
• Cell volume: 2155.7 ± 0.2 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No