Information card for entry 4348783

Structure parameters

• Formula: C34 H88 K N3 O7 S3 Si6 Th
• Calculated formula: C34 H88 K N3 O7 S3 Si6 Th
• Title of publication: Synthesis, Electrochemistry, and Reactivity of the Actinide Trisulfides [K(18-crown-6)][An(η(3)-S3)(NR2)3] (An = U, Th; R = SiMe3).
• Authors of publication: Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9150 - 9153
• a: 11.2987 ± 0.0015 Å
• b: 12.9526 ± 0.0018 Å
• c: 20.985 ± 0.003 Å
• α: 98.696 ± 0.002°
• β: 97.064 ± 0.002°
• γ: 109.856 ± 0.002°
• Cell volume: 2804.7 ± 0.7 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: 0.0399
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No