Information card for entry 4077622

Structure parameters

• Formula: C76 H75.5 Eu Li3 O10.5
• Calculated formula: C76 H75.5 Eu Li3 O10.5
• SMILES: [Eu]12345([O]6[Li]([O]1c1c(c7c([O]2[Li]([O]3c2ccc3ccccc3c2c2c([O]4[Li]([O]5c3c(c4c6ccc5ccccc45)c4ccccc4cc3)[O](CC)CC)ccc3ccccc23)[O](CC)CC)ccc2ccccc72)c2ccccc2cc1)[O](CC)CC)[OH2].O(CC)CC
• 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: 14.9654 ± 0.0016 Å
• b: 37.174 ± 0.003 Å
• c: 15.152 ± 0.0015 Å
• α: 90°
• β: 118.496 ± 0.012°
• γ: 90°
• Cell volume: 7408.2 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No