Information card for entry 7201431

Structure parameters

• Formula: C12 H12 Cl4 N2 O2 U
• Calculated formula: C12 H12 Cl4 N2 O2 U
• SMILES: c1cc(cc[nH+]1)/C=C/c1cc[nH+]cc1.[U](Cl)(=O)(=O)(Cl)(Cl)Cl
• 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: 7 ± 0.0002 Å
• b: 8.1759 ± 0.0002 Å
• c: 8.4438 ± 0.0002 Å
• α: 81.59°
• β: 73.86°
• γ: 66.8°
• Cell volume: 426.295 ± 0.019 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: 0.0142
• Residual factor for significantly intense reflections: 0.0142
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No