Information card for entry 1505480

Structure parameters

• Formula: C97.5 H73.5 Li3 N7.5 O6 Yb
• Calculated formula: C97.5 H73.5 Li3 N7.5 O6 Yb
• SMILES: [Yb]123([O](c4ccc5c(cccc5)c4c4c5ccccc5ccc4[O]1[Li]1([n]4ccccc4)[n]4ccccc4)[Li]4([n]5ccccc5)[n]5ccccc5)([O](c5ccc6c(cccc6)c5c5c6c(ccc5[O]21)cccc6)[Li]1[n]2ccccc2)([O]4c2ccc4c(c2c2c5ccccc5ccc2[O]31)cccc4)[n]1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.
• Authors of publication: Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 17
• Pages of publication: 3359 - 3362
• a: 17.988 ± 0.0006 Å
• b: 31.6872 ± 0.001 Å
• c: 14.5672 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8303.1 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No