Information card for entry 4346362

Structure parameters

• Formula: C16 H36 P2 Se4 Zn
• Calculated formula: C16 H36 P2 Se4 Zn
• SMILES: [Se]1[Zn]2([Se]=P([Se]2)(C(C)(C)C)C(C)(C)C)[Se]=P1(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: 13.4867 ± 0.0013 Å
• b: 11.5836 ± 0.0011 Å
• c: 15.8203 ± 0.0015 Å
• α: 90°
• β: 98.091 ± 0.001°
• γ: 90°
• Cell volume: 2446.9 ± 0.4 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: 0.0252
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No