Information card for entry 4077621

Structure parameters

• Formula: C84 H84 Na3 O12 Y
• Calculated formula: C84 H84 Na3 O12 Y
• SMILES: c1c2c(c3c(c1)[O]4[Y]15([O]([Na]4([O]4CCCC4)[O]4CCCC4)c4ccc6c(c4c4c([O]17)ccc1ccccc41)cccc6)([O]([Na]7([O]1CCCC1)[O]1CCCC1)c1ccc4c(c1c1c6ccccc6ccc1[O]51)cccc4)[O]([Na]1([O]1CCCC1)[O]1CCCC1)c1c3c3ccccc3cc1)cccc2
• 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: 15.1989 ± 0.0016 Å
• b: 15.1989 ± 0.0016 Å
• c: 55.338 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11071 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No