Information card for entry 4120697

Structure parameters

• Formula: C30 H78 K N3 O6 S Si6 U
• Calculated formula: C30 H78 K N3 O6 S Si6 U
• SMILES: [U](S[K]12345[O]6CC[O]3CC[O]4CC[O]5CC[O]2CC[O]1CC6)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• 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: 12.7175 ± 0.0003 Å
• b: 18.84 ± 0.0005 Å
• c: 21.7489 ± 0.0006 Å
• α: 91.46 ± 0.002°
• β: 105.661 ± 0.002°
• γ: 92.752 ± 0.002°
• Cell volume: 5007.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No