Information card for entry 7040636

Structure parameters

• Formula: C34 H38 O2 U
• Calculated formula: C34 H38 O2 U
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[U]167892345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)Oc1c(c2ccccc2c2ccccc12)O9)C)C)C)C
• Title of publication: Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.
• Authors of publication: Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 16441 - 16452
• a: 9.525 ± 0.004 Å
• b: 18.419 ± 0.008 Å
• c: 16.332 ± 0.007 Å
• α: 90°
• β: 92.404 ± 0.009°
• γ: 90°
• Cell volume: 2863 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No