Information card for entry 4341492

Structure parameters

• Formula: C30 H78 K N3 O6 Se2 Si6 U
• Calculated formula: C30 H78 K N3 O6 Se2 Si6 U
• SMILES: C[Si](C)(C)N([Si](C)(C)C)[U]1(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[Se][Se]1.[K]12345[O]6CC[O]2CC[O]1CC[O]3CC[O]5CC[O]4CC6
• Title of publication: Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.
• Authors of publication: Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10240 - 10247
• a: 13.2894 ± 0.0006 Å
• b: 17.7878 ± 0.0008 Å
• c: 22.4872 ± 0.0008 Å
• α: 90°
• β: 105.602 ± 0.002°
• γ: 90°
• Cell volume: 5119.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No