Information card for entry 4340614

Structure parameters

• Formula: C63 H75 F O3 U
• Calculated formula: C63 H75 F O3 U
• SMILES: [U]12345678(Oc9c(C[c]5%10[c]6([c]7([c]4([c]8([c]3%10C)Cc3c(O1)c(cc(c3)C)C13CC4CC(CC(C1)C4)C3)C)Cc1c(O2)c(cc(c1)C)C12CC3CC(CC(C1)C3)C2)C)cc(cc9C12CC3CC(CC(C1)C3)C2)C)F
• Title of publication: Uranium(IV) Halide (F(-), Cl(-), Br(-), and I(-)) Monoarene Complexes.
• Authors of publication: Halter, Dominik P.; La Pierre, Henry S.; Heinemann, Frank W.; Meyer, Karsten
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8418 - 8424
• a: 11.6837 ± 0.001 Å
• b: 16.2568 ± 0.0014 Å
• c: 26.19 ± 0.002 Å
• α: 89.898 ± 0.002°
• β: 87.804 ± 0.002°
• γ: 88.879 ± 0.002°
• Cell volume: 4969.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No