Information card for entry 4129529

Structure parameters

• Formula: C32 H83 K N3 O6.5 Se2 Si6 Th
• Calculated formula: C32 H78 K N3 O6.5 Se2 Si6 Th
• Title of publication: Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.
• Authors of publication: Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 3
• Pages of publication: 814 - 825
• a: 11.2684 ± 0.0018 Å
• b: 14.392 ± 0.002 Å
• c: 17.841 ± 0.003 Å
• α: 87.899 ± 0.004°
• β: 88.397 ± 0.005°
• γ: 69.307 ± 0.004°
• Cell volume: 2704.5 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No