Information card for entry 4341782

Structure parameters

• Formula: C30 H78 K N3 O6 S Se Si6 U
• Calculated formula: C30 H78 K N3 O6 S Se Si6 U
• SMILES: [U]1([Se][S]1[K]12345[O]6CC[O]5CC[O]3CC[O]2CC[O]1CC[O]4CC6)(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: 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: 13.163 ± 0.0009 Å
• b: 17.804 ± 0.0012 Å
• c: 22.4878 ± 0.0014 Å
• α: 90°
• β: 105.691 ± 0.004°
• γ: 90°
• Cell volume: 5073.7 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No