Information card for entry 1542928

Structure parameters

• Formula: C80 H76 Ce Li2 O11
• Calculated formula: C80 H76 Ce Li2 O11
• SMILES: [Ce]12345[O](c6ccc7ccccc7c6c6c7ccccc7ccc6O1)[Li]([O]2c1ccc2ccccc2c1c1c2ccccc2ccc1[O]3[Li]([O]5c1c(c2c(O4)ccc3ccccc23)c2ccccc2cc1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii)
• Authors of publication: Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4537
• a: 15.7715 ± 0.0013 Å
• b: 12.9851 ± 0.0011 Å
• c: 32.521 ± 0.003 Å
• α: 90°
• β: 97.852 ± 0.005°
• γ: 90°
• Cell volume: 6597.7 ± 1 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No