Information card for entry 7201432

Structure parameters

• Formula: C16 H16 Cl4 N2 O6 U
• Calculated formula: C16 H16 Cl4 N2 O6 U
• SMILES: C(=O)(/C=C/c1cc[nH+]cc1)O.[U](=O)(=O)(Cl)(Cl)(Cl)Cl.C(=O)(/C=C/c1cc[nH+]cc1)O
• Title of publication: The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials
• Authors of publication: Deifel, Nicholas P.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2739
• a: 8.0673 ± 0.0003 Å
• b: 8.6337 ± 0.0003 Å
• c: 9.2526 ± 0.0003 Å
• α: 67.99 ± 0.001°
• β: 71.985 ± 0.001°
• γ: 77.572 ± 0.001°
• Cell volume: 564.57 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0214
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No