Information card for entry 1558114

Structure parameters

• Formula: C35 H59 N2 P Si2 U
• Calculated formula: C35 H59 N2 P Si2 U
• SMILES: [U]123456789([c]%10([c]8([c]4([c]1([c]2%10C)C)C)C)C)([c]1(C)[c]6([c]3([c]5(C)[c]91C)C)C)N(P(N7[Si](C)(C)C)c1c(C)cc(cc1C)C)[Si](C)(C)C
• Title of publication: Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands
• Authors of publication: Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 5830 - 5835
• a: 20.0922 ± 0.0013 Å
• b: 11.4805 ± 0.0006 Å
• c: 18.359 ± 0.0011 Å
• α: 90°
• β: 120.155 ± 0.003°
• γ: 90°
• Cell volume: 3661.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No