Information card for entry 4337920

Structure parameters

• Formula: C41 H46 I2 N3 U
• Calculated formula: C41 H46 I2 N3 U
• SMILES: [U]123456(I)(I)([N](=C(C)c7[n]2c(C(=[N]1c1c(cc(cc1C)C)C)C)ccc7)c1c(cc(cc1C)C)C)[c]1([cH]3[cH]4[cH]5[cH]61)C(C)(C)c1ccccc1
• 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: 8.4353 ± 0.0007 Å
• b: 23.8206 ± 0.0018 Å
• c: 20.85 ± 0.0015 Å
• α: 90°
• β: 94.155 ± 0.006°
• γ: 90°
• Cell volume: 4178.5 ± 0.6 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.082
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No