Information card for entry 1542401

Structure parameters

• Formula: C22 H34 Br2 U
• Calculated formula: C22 H34 Br2 U
• SMILES: [U]12345678(Br)(Br)([c]9([c]1([c]2([c]3([c]49C)C)C)CC)C)[c]1([c]5([c]6([c]7([c]81C)C)C)CC)C
• Title of publication: Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)
• Authors of publication: Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline
• Journal of publication: Inorganics
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 1
• a: 8.2013 ± 0.0007 Å
• b: 18.6785 ± 0.0017 Å
• c: 8.4618 ± 0.0008 Å
• α: 90°
• β: 118.833 ± 0.001°
• γ: 90°
• Cell volume: 1135.55 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No