Information card for entry 4346361

Structure parameters

• Formula: C16 H36 Hg P2 Se4
• Calculated formula: C16 H36 Hg P2 Se4
• SMILES: [Hg]12([Se]=P([Se]2)(C(C)(C)C)C(C)(C)C)[Se]=P([Se]1)(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: 13.3824 ± 0.0016 Å
• b: 11.8093 ± 0.0014 Å
• c: 15.7832 ± 0.0019 Å
• α: 90°
• β: 98.684 ± 0.001°
• γ: 90°
• Cell volume: 2465.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No