Information card for entry 4071909

Structure parameters

• Formula: C40 H45 N U
• Calculated formula: C40 H45 N U
• SMILES: [U]12345678(N(c9ccccc9)c9ccccc9)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)C#Cc1ccccc1
• Title of publication: Tetravalent and Pentavalent Uranium Acetylide Complexes Prepared by Oxidative Functionalization with CuCCPh
• Authors of publication: Graves, Christopher R.; Scott, Brian L.; Morris, David E.; Kiplinger, Jaqueline L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3335
• a: 9.7134 ± 0.0016 Å
• b: 21.99 ± 0.004 Å
• c: 16.212 ± 0.003 Å
• α: 90°
• β: 104.659 ± 0.002°
• γ: 90°
• Cell volume: 3350.1 ± 1 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No