Information card for entry 4080396

Structure parameters

• Formula: C84 H84 Cl Li3 O12 U
• Calculated formula: C84 H84 Cl Li3 O12 U
• 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: 11.0718 ± 0.0017 Å
• b: 25.4 ± 0.004 Å
• c: 26.095 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7339 ± 2 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: 0.0231
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No