Information card for entry 4337917

Structure parameters

• Formula: C51 H58 N3 O2 U
• Calculated formula: C51 H58 N3 O2 U
• SMILES: [U]1234567(O[C@H](c8ccccc8)[C@@H](O1)c1ccccc1)([N](=C(c1[n]2c(ccc1)C(=[N]3c1c(C)cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)[c]1([c]6([c]5(C)[c]7([c]41C)C)C)C
• Title of publication: Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.
• Authors of publication: Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3730
• a: 11.5323 ± 0.0003 Å
• b: 12.9693 ± 0.0003 Å
• c: 29.1811 ± 0.0006 Å
• α: 90°
• β: 94.776 ± 0.002°
• γ: 90°
• Cell volume: 4349.34 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0355
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No