Information card for entry 4341779

Structure parameters

• Formula: C30 H78 K N3 O6 S2 Si6 U
• Calculated formula: C30 H78 K N3 O6 S2 Si6 U
• SMILES: [U]1(SS1)(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.[K]12345[O]6CC[O]5CC[O]1CC[O]2CC[O]4CC[O]3CC6
• 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: 12.9305 ± 0.0004 Å
• b: 17.8735 ± 0.0005 Å
• c: 22.5628 ± 0.0007 Å
• α: 90°
• β: 105.223 ± 0.002°
• γ: 90°
• Cell volume: 5031.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2018
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No