Information card for entry 1558116

Structure parameters

• Formula: C33 H56 N P Si2 U
• Calculated formula: C33 H56 N P Si2 U
• SMILES: [U]12345678([c]9([c]2([c]1([c]6([c]59C)C)C)C)C)(C)(N=P([Si](C)(C)C)([Si](C)(C)C)c1ccccc1)[c]1([c]3([c]8([c]4([c]71C)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: 10.6409 ± 0.0006 Å
• b: 16.5027 ± 0.0009 Å
• c: 20.4856 ± 0.0011 Å
• α: 85.363 ± 0.002°
• β: 89.696 ± 0.002°
• γ: 85.317 ± 0.002°
• Cell volume: 3573.6 ± 0.3 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: 0.0671
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No