Information card for entry 4080398

Structure parameters

• Formula: C109 H101 Br8 Li3 O14 U
• Calculated formula: C109 H101 Br8 Li3 O14 U
• SMILES: [U]12345([O]6c7ccc8cc(Br)ccc8c7c7c8ccc(Br)cc8ccc7[O]1[Li]([O]4c1ccc4cc(Br)ccc4c1c1c4ccc(Br)cc4ccc1[O]5[Li]([O]2c1ccc2cc(Br)ccc2c1c1c([O]3[Li]6[O]2CCCC2)ccc2c1ccc(Br)c2)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)Oc1ccc2cc(Br)ccc2c1c1c2ccc(Br)cc2ccc1O.O1CCCC1.CCCCC
• 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: 15.554 ± 0.003 Å
• b: 24.866 ± 0.004 Å
• c: 30.021 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11611 ± 3 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: 0.0767
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No