Information card for entry 4341268

Structure parameters

• Formula: C48 H40 Cl4 O2 P2 U
• Calculated formula: C48 H40 Cl4 O2 P2 U
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[U](Cl)(=O)(=O)(Cl)(Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl4(2-).
• Authors of publication: Schnaars, David D.; Wilson, Richard E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11036 - 11045
• a: 10.0272 ± 0.0006 Å
• b: 10.0808 ± 0.0006 Å
• c: 12.0598 ± 0.0007 Å
• α: 99.663 ± 0.001°
• β: 93.389 ± 0.001°
• γ: 114.308 ± 0.001°
• Cell volume: 1083.99 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No