Information card for entry 4107414

Structure parameters

• Formula: C53 H69 Cl N2 O3 P U
• Calculated formula: C53 H69 Cl N2 O3 P U
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C=C(C)N(c2c(cccc2C(C)C)C(C)C)[U]1(Cl)(=O)(=O)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)C.CCCCCC
• Title of publication: Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex
• Authors of publication: Trevor W. Hayton; Guang Wu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2005 - 2014
• a: 23.37 ± 0.003 Å
• b: 9.6101 ± 0.0012 Å
• c: 25.184 ± 0.003 Å
• α: 90°
• β: 115.539 ± 0.003°
• γ: 90°
• Cell volume: 5103.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1763
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No