Information card for entry 4346371

Structure parameters

• Formula: C25 H50 Cl P3 Se6 U
• Calculated formula: C25 H50 Cl P3 Se6 U
• SMILES: [U]123([Se]=P([Se]3)(C(C)C)C(C)C)([Se]=P([Se]1)(C(C)C)C(C)C)([Se]=P([Se]2)(C(C)C)C(C)C)Cl.c1ccc(cc1)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: 12.4588 ± 0.0012 Å
• b: 14.439 ± 0.0014 Å
• c: 21.264 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3825.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No