Information card for entry 4337919

Structure parameters

• Formula: C55 H62 I N3 U
• Calculated formula: C55 H62 I N3 U
• SMILES: [U]123456(I)([N](=C(C)c7[n]1c(ccc7)C(=[N]2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)[c]1([cH]6[cH]5[cH]4[cH]31)C(c1ccccc1)(C)C.c1(ccccc1)C.c1(ccccc1)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: 11.6038 ± 0.0006 Å
• b: 14.515 ± 0.0005 Å
• c: 15.5767 ± 0.0007 Å
• α: 75.149 ± 0.003°
• β: 77.997 ± 0.002°
• γ: 73.826 ± 0.003°
• Cell volume: 2409.06 ± 0.19 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 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: 0.045
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No