Information card for entry 4321527

Structure parameters

• Formula: C34 H38 O6 U
• Calculated formula: C34 H38 O6 U
• SMILES: O=[U](=O)(OC(c1ccccc1)c1ccccc1)(OC(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Basicity of Uranyl Oxo Ligands upon Coordination of Alkoxides
• Authors of publication: Marianne P. Wilkerson; Carol J. Burns; Harry J. Dewey; Jerod M. Martin; David E. Morris; Robert T. Paine; Brian L. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5277 - 5285
• a: 6.1796 ± 0.0004 Å
• b: 15.669 ± 0.001 Å
• c: 16.169 ± 0.001 Å
• α: 90°
• β: 95.38 ± 0.001°
• γ: 90°
• Cell volume: 1558.72 ± 0.17 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections: 0.1252
• Weighted residual factors for significantly intense reflections: 0.1063
• Goodness-of-fit parameter for all reflections: 0.881
• Goodness-of-fit parameter for significantly intense reflections: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No