Information card for entry 4117780

Structure parameters

• Formula: C78 H196 K2 Lu2 N6 O18 Si12
• Calculated formula: C78 H196 K2 Lu2 N6 O18 Si12
• 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: 15.399 ± 0.0014 Å
• b: 15.6526 ± 0.0014 Å
• c: 15.8991 ± 0.0015 Å
• α: 61.9215 ± 0.0009°
• β: 66.376 ± 0.001°
• γ: 65.6289 ± 0.001°
• Cell volume: 2976.5 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.086
• 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