Information card for entry 4346365

Structure parameters

• Formula: C24 H56 P4 Se8 Th
• Calculated formula: C24 H56 P4 Se8 Th
• SMILES: [Th]1234([Se]=P([Se]1)(C(C)C)C(C)C)([Se]=P([Se]2)(C(C)C)C(C)C)([Se]=P([Se]3)(C(C)C)C(C)C)[Se]=P([Se]4)(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: 16.854 ± 0.003 Å
• b: 13.348 ± 0.003 Å
• c: 18.538 ± 0.004 Å
• α: 90°
• β: 96.522 ± 0.002°
• γ: 90°
• Cell volume: 4143.5 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No