Information card for entry 7001265

Structure parameters

• Formula: C32 H50 I2 O5 U
• Calculated formula: C32 H50 I2 O5 U
• SMILES: [U](I)(I)(Oc1ccc(C(C)(C)C)cc1)([O]1CCCC1)([O]1CCCC1)(Oc1ccc(C(C)(C)C)cc1)[O]1CCCC1
• Title of publication: Reactivity of UI4(OEt2)2 with phenols: probing the chemistry of the U‒I bond
• Authors of publication: Schnaars, David D.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3681 - 3687
• a: 23.0285 ± 0.0016 Å
• b: 13.3321 ± 0.0009 Å
• c: 23.6112 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7249.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.167
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No