Information card for entry 7201430

Structure parameters

• Formula: C12 H14 Cl4 N2 O2 U
• Calculated formula: C12 H14 Cl4 N2 O2 U
• SMILES: c1[nH+]ccc(c1)CCc1cc[nH+]cc1.O=[U](=O)(Cl)(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: 7.0295 ± 0.0002 Å
• b: 8.2438 ± 0.0002 Å
• c: 8.7676 ± 0.0002 Å
• α: 82.81°
• β: 70.63°
• γ: 66.07°
• Cell volume: 438.094 ± 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: 0.0184
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No