Information card for entry 4132761

Structure parameters

• Formula: C44 H62 Cl2 N2 P2 U
• Calculated formula: C44 H62 Cl2 N2 P2 U
• SMILES: c1(ccc(cc1[P]1(C(C)C)C(C)C)C)N([U]12(Cl)(N(c1ccc(cc1[P]2(C(C)C)C(C)C)C)c1c(cc(cc1C)C)C)Cl)c1c(cc(cc1C)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: 24.5125 ± 0.0008 Å
• b: 13.2349 ± 0.0004 Å
• c: 14.3958 ± 0.0004 Å
• α: 90°
• β: 115.555 ± 0.002°
• γ: 90°
• Cell volume: 4213.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.02
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No