Information card for entry 4077625

Structure parameters

• Formula: C84 H84 La Na3 O13
• Calculated formula: C84 H84 La Na3 O13
• SMILES: c1c2ccccc2c2c(c1)[O]1[La]34([O](c5ccc6c(c25)cccc6)[Na]2([O]5CCCC5)[O]5CCCC5)([OH2])([O]5c6ccc7ccccc7c6c6c7ccccc7ccc6[O]4[Na]1([O]1CCCC1)[O]1CCCC1)[O]2c1ccc2ccccc2c1c1c2ccccc2ccc1[O]3[Na]5([O]1CCCC1)[O]1CCCC1
• 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: 15.2581 ± 0.0017 Å
• b: 15.2581 ± 0.0017 Å
• c: 18.207 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3670.9 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No