Information card for entry 4071908

Structure parameters

• Formula: C36 H48 N O U
• Calculated formula: C36 H48 N O U
• SMILES: [U]12345678([O]9CCCC9)(N(c9ccccc9)c9ccccc9)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• 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: 10.635 ± 0.002 Å
• b: 10.736 ± 0.002 Å
• c: 15.299 ± 0.003 Å
• α: 82.214 ± 0.002°
• β: 88.185 ± 0.002°
• γ: 64.197 ± 0.002°
• Cell volume: 1557.4 ± 0.5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0558
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No