Information card for entry 4341270

Structure parameters

• Formula: C50 H44 Cl8 O2 P2 U
• Calculated formula: C50 H44 Cl8 O2 P2 U
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=[U](Cl)(Cl)(=O)(Cl)Cl.C(Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 10.0361 ± 0.0011 Å
• b: 10.9404 ± 0.0012 Å
• c: 12.6063 ± 0.0014 Å
• α: 69.177 ± 0.001°
• β: 76.948 ± 0.001°
• γ: 82.543 ± 0.001°
• Cell volume: 1258.5 ± 0.2 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: 0.021
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No