Information card for entry 4346367

Structure parameters

• Formula: C32 H72 P4 Se8 U
• Calculated formula: C32 H72 P4 Se8 U
• SMILES: C(C)(C)(P1(C(C)(C)C)=[Se][U]234([Se]1)([Se]=P(C(C)(C)C)([Se]2)C(C)(C)C)([Se]=P(C(C)(C)C)(C(C)(C)C)[Se]3)[Se]=P(C(C)(C)C)(C(C)(C)C)[Se]4)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: 18.3367 ± 0.0014 Å
• b: 18.3367 ± 0.0014 Å
• c: 16.2992 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5480.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No