Information card for entry 4080397

Structure parameters

• Formula: C72 H66 Cl Li3 N6 O6 U
• Calculated formula: C72 H66 Cl Li3 N6 O6 U
• SMILES: [U]12345(Cl)[O]6c7ccc8ccccc8c7c7c8ccccc8ccc7[O]1[Li]1([O]2c2ccc7ccccc7c2c2c7ccccc7ccc2[O]3[Li]2([O]4c3ccc4ccccc4c3c3c4ccccc4ccc3[O]5[Li]36[NH](CC[NH]3C)C)[NH](CC[NH]2C)C)[NH](CC[NH]1C)C
• Title of publication: Uranium(IV) BINOLate Heterobimetallics: Synthesis and Reactivity in an Asymmetric Diels‒Alder Reaction
• Authors of publication: Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1493
• a: 19.834 ± 0.003 Å
• b: 25.703 ± 0.005 Å
• c: 30.533 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15566 ± 5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 7
• 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: 0.0736
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No