Information card for entry 4077620

Structure parameters

• Formula: C88 H92 Li3 O13 Y
• Calculated formula: C88 H92 Li3 O13 Y
• SMILES: [Y]12345[O]6c7c(c8c(ccc9ccccc89)[O]5[Li]([O]4c4c(c5c(ccc8ccccc58)[O]3[Li]([O]2c2c(c3c(ccc5ccccc35)[O]1[Li]6([O]1CCCC1)[O]1CCCC1)c1ccccc1cc2)([O]1CCCC1)[O]1CCCC1)c1ccccc1cc4)([O]1CCCC1)[O]1CCCC1)c1ccccc1cc7.O1CCCC1
• Title of publication: Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!
• Authors of publication: Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5416
• a: 15.645 ± 0.003 Å
• b: 16.76 ± 0.004 Å
• c: 19.187 ± 0.006 Å
• α: 111.34 ± 0.03°
• β: 103.23 ± 0.03°
• γ: 96.79 ± 0.03°
• Cell volume: 4448 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3393
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.557
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No