Information card for entry 7201435

Structure parameters

• Formula: C20 H24 Cl6 N4 O4 U
• Calculated formula: C20 H20 Cl6 N4 O4 U
• SMILES: c1(cccc[nH+]1)c1cc[nH+]cc1.[U](=O)(=O)(Cl)(Cl)(Cl)Cl.[Cl-].O.c1cc(cc[nH+]1)c1cccc[nH+]1.[Cl-].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: 7.023 ± 0.0002 Å
• b: 15.412 ± 0.0004 Å
• c: 13.4514 ± 0.0003 Å
• α: 90°
• β: 102.76°
• γ: 90°
• Cell volume: 1420 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No