Information card for entry 4121352

Structure parameters

• Formula: C99 H103 Ce Li3 O15 P
• Calculated formula: C99 H103 Ce Li3 O15 P
• SMILES: [Ce]12345([O]6c7ccc8ccccc8c7c7c8ccccc8ccc7[O]1[Li]1([O]2c2ccc7ccccc7c2c2c7ccccc7ccc2[O]3[Li]2([O]4c3ccc4ccccc4c3c3c4ccccc4ccc3[O]5[Li]36[O](C)CC[O]3C)[O](C)CC[O]2C)[O](C)CC[O]1C)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1.O(CCOC)C.CCCCC
• Title of publication: Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework
• Authors of publication: Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 19016 - 19024
• a: 15.5152 ± 0.0014 Å
• b: 21.337 ± 0.002 Å
• c: 26.22 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8680.1 ± 1.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No