Information card for entry 4132760

Structure parameters

• Formula: C44 H62 I N2 P2 U
• Calculated formula: C44 H62 I N2 P2 U
• SMILES: c12ccc(cc1[P](C(C)C)([U]1(I)(N2c2c(cc(cc2C)C)C)N(c2ccc(cc2[P]1(C(C)C)C(C)C)C)c1c(cc(cc1C)C)C)C(C)C)C
• Title of publication: C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.
• Authors of publication: Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11335 - 11340
• a: 12.4461 ± 0.0004 Å
• b: 15.3301 ± 0.0005 Å
• c: 11.6893 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2230.32 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No