Information card for entry 7228540

Structure parameters

• Common name: Uranium(IV) hexachloride
• Chemical name: [PPh4][UCl6]
• Formula: C24 H20 Cl6 P U
• Calculated formula: C24 H20 Cl6 P U
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[U](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-]
• Title of publication: Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region
• Authors of publication: Gendron, Frédéric; Fleischauer, Valerie E.; Duignan, Thomas J.; Scott, Brian L.; Löble, Matthias W.; Cary, Samantha K.; Kozimor, Stosh A.; Bolvin, Hélène; Neidig, Michael L.; Autschbach, Jochen
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 22.6559 ± 0.0016 Å
• b: 6.7274 ± 0.0005 Å
• c: 17.4505 ± 0.0012 Å
• α: 90°
• β: 97.218 ± 0.0007°
• γ: 90°
• Cell volume: 2638.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0148
• Residual factor for significantly intense reflections: 0.0123
• Weighted residual factors for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.0288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No