Information card for entry 7054871

Structure parameters

• Formula: C26 H74 K N3 O2 S2 Si6 U
• Calculated formula: C26 H74 K N3 O2 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]([O](CC)CC)[O](CC)CC
• Title of publication: Reactivity of [U(CH2SiMe2NSiMe3)(NR2)2] (R = SiMe3) with elemental chalcogens: towards a better understanding of chalcogen atom transfer in the actinides
• Authors of publication: Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7563
• a: 15.6285 ± 0.0012 Å
• b: 20.3969 ± 0.0016 Å
• c: 14.6493 ± 0.0013 Å
• α: 90°
• β: 100.297 ± 0.004°
• γ: 90°
• Cell volume: 4594.6 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No