Information card for entry 4117776

Structure parameters

• Formula: C54 H138 K2 N6 O6 Si12 Y2
• Calculated formula: C54 H138 K2 N6 O6 Si12 Y2
• Title of publication: Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization
• Authors of publication: Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6064 - 6067
• a: 11.5505 ± 0.0007 Å
• b: 14.5565 ± 0.0009 Å
• c: 14.667 ± 0.0009 Å
• α: 92.9862 ± 0.0008°
• β: 106.952 ± 0.0007°
• γ: 109.399 ± 0.0007°
• Cell volume: 2194.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No