Information card for entry 4337923

Structure parameters

• Formula: C42 H45 U
• Calculated formula: C42 H45 U
• SMILES: [U]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[c]4%13C(c1ccccc1)(C)C)([cH]1[cH]6[cH]7[cH]5[c]81C(c1ccccc1)(C)C)[c]1([cH]%10[cH]%11[cH]%12[cH]91)C(c1ccccc1)(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: 33.251 ± 0.0016 Å
• b: 8.3849 ± 0.0004 Å
• c: 27.5427 ± 0.0011 Å
• α: 90°
• β: 114.731 ± 0.003°
• γ: 90°
• Cell volume: 6974.8 ± 0.6 ų
• Cell temperature: 260 ± 0.2 K
• Ambient diffraction temperature: 260 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.188
• 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