Information card for entry 4336365

Structure parameters

• Formula: C36 H52 Ce N8 O4
• Calculated formula: C36 H52 Ce N8 O4
• SMILES: c1cccc2[n]1[Ce]134([n]5ccccc5N(O1)C(C)(C)C)(ON2C(C)(C)C)([n]1ccccc1N(C(C)(C)C)O3)[n]1ccccc1N(O4)C(C)(C)C
• Title of publication: Homoleptic Cerium(III) and Cerium(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State
• Authors of publication: Justin A. Bogart; Andrew J. Lewis; Scott A. Medling; Nicholas A. Piro; Patrick J. Carroll; Corwin H. Booth; Eric J. Schelter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11600 - 11607
• a: 25.7533 ± 0.0013 Å
• b: 10.0788 ± 0.0005 Å
• c: 17.7825 ± 0.0009 Å
• α: 90°
• β: 125.134 ± 0.002°
• γ: 90°
• Cell volume: 3774.7 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No