Information card for entry 4319913

Structure parameters

• Formula: C20 H40 Br4 Na2 O12 U
• Calculated formula: C20 H40 Br4 Na2 O12 U
• SMILES: O=[U]12([Br][Na]3456([O]7CC[O]3CC[O]4CC[O]5CC[O]6CC7)[Br]1)(=O)[Br][Na]1345([O]6CC[O]3CC[O]4CC[O]5CC[O]1CC6)[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: 15.456 ± 0.0007 Å
• b: 16.0178 ± 0.0007 Å
• c: 13.6571 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3381.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No