Information card for entry 4341269

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](=O)(=O)(Cl)(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: 12.9364 ± 0.0008 Å
• b: 10.7145 ± 0.0006 Å
• c: 19.5933 ± 0.0009 Å
• α: 90°
• β: 124.158 ± 0.003°
• γ: 90°
• Cell volume: 2247.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No