Information card for entry 4341780

Structure parameters

• Formula: C34 H88 K N3 O7 S3 Si6 U
• Calculated formula: C34 H88 K N3 O7 S3 Si6 U
• SMILES: C[Si](C)(C)N([Si](C)(C)C)[U]12(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)S[S]2S1.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456.CCOCC
• Title of publication: Reversible Chalcogen-Atom Transfer to a Terminal Uranium Sulfide.
• Authors of publication: Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141202142139009
• a: 11.2552 ± 0.0013 Å
• b: 12.9335 ± 0.0015 Å
• c: 20.934 ± 0.003 Å
• α: 98.456 ± 0.002°
• β: 96.945 ± 0.002°
• γ: 110.308 ± 0.002°
• Cell volume: 2777.9 ± 0.6 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No