Information card for entry 4319911

Structure parameters

• Formula: C24 H48 Br4 K2 O14 U
• Calculated formula: C24 H48 Br4 K2 O14 U
• SMILES: O=[U]12([Br][K]34567([O]8CC[O]3CC[O]4CC[O]5CC[O]6CC[O]7CC8)[Br]1)(=O)[Br][K]13456([O]7CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1CC7)[Br]2
• Title of publication: Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br
• Authors of publication: Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3389 - 3394
• a: 10.2472 ± 0.0005 Å
• b: 10.0343 ± 0.0005 Å
• c: 19.7082 ± 0.0009 Å
• α: 90°
• β: 92.659 ± 0.001°
• γ: 90°
• Cell volume: 2024.28 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No