Information card for entry 4120702

Structure parameters

• Formula: C53 H102 Li N4 O8 Si6 U
• Calculated formula: C53 H102 Li N4 O8 Si6 U
• SMILES: [U](N([Si](C)(C)C)[Si](C)(C)C)(NC(c1ccccc1)(c1ccccc1)c1ccccc1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[O]12CC[O]3CC[O]4CC[O](CC1)[Li]156234[O]2CC[O]1CC[O]6CC[O]5CC2
• Title of publication: Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.
• Authors of publication: Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 1
• Pages of publication: 96 - 99
• a: 15.8489 ± 0.0017 Å
• b: 34.478 ± 0.004 Å
• c: 11.8844 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6494.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No