Information card for entry 4337922

Structure parameters

• Formula: C71 H74 N3 O3 U
• Calculated formula: C71 H74 N3 O3 U
• SMILES: [U]1234567(OC(C(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1c(cccc1C(=[N]3c1c(cc(cc1C)C)C)C)C(=[N]2c1c(cc(cc1C)C)C)C)[c]1([cH]7[cH]6[cH]5[cH]41)C(C)(C)c1ccccc1.O1CCCC1
• 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: 12.5568 ± 0.0005 Å
• b: 13.1001 ± 0.0004 Å
• c: 18.1409 ± 0.0006 Å
• α: 78.949 ± 0.002°
• β: 88.801 ± 0.003°
• γ: 84.91 ± 0.003°
• Cell volume: 2917.19 ± 0.18 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.04
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No