Information card for entry 4346368

Structure parameters

• Formula: C24 H54 I P3 Se6 U
• Calculated formula: C24 H54 I P3 Se6 U
• SMILES: [U]123(I)([Se]=P(C(C)(C)C)([Se]1)C(C)(C)C)([Se]=P([Se]2)(C(C)(C)C)C(C)(C)C)[Se]=P([Se]3)(C(C)(C)C)C(C)(C)C
• Title of publication: Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.
• Authors of publication: Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11625 - 11636
• a: 22.001 ± 0.002 Å
• b: 15.2676 ± 0.0017 Å
• c: 27.462 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9224.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.056
• 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