Information card for entry 4337921

Structure parameters

• Formula: C37 H46 I N3 U
• Calculated formula: C37 H46 I N3 U
• SMILES: [U]123456(I)([N](=C(C)c7cccc([n]17)C(=[N]2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)[c]1([c]5([c]6([c]3([c]41C)C)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: 26.9579 ± 0.0007 Å
• b: 12.369 ± 0.0003 Å
• c: 11.8789 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3960.93 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No