Information card for entry 1558115

Structure parameters

• Chemical name: Bis(pentamethylcyclopentadienyl)-P-trimethylsilyl-P-methylphosphimido-trimethylsilylimidouranium(VI)
• Formula: C35 H58 N2 P Si2 U
• Calculated formula: C35 H58 N2 P Si2 U
• SMILES: [U]12345678(=NP([Si](C)(C)C)c9c(C)cc(cc9C)C)(=N[Si](C)(C)C)([c]9([c]1([c]3([c]4([c]29C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)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: 9.8231 ± 0.0011 Å
• b: 11.2078 ± 0.0013 Å
• c: 19.039 ± 0.003 Å
• α: 82.061 ± 0.004°
• β: 76.9 ± 0.006°
• γ: 65.055 ± 0.004°
• Cell volume: 1849 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No