Information card for entry 1556426

Structure parameters

• Formula: C38 H58 P2 Si2 Th
• Calculated formula: C38 H58 P2 Si2 Th
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Th]16782345(P(c2ccccc2)[Si](C)(C)C)([c]2([c]7([c]8([c]6([c]12C)C)C)C)C)P(c1ccccc1)[Si](C)(C)C)C)C)C)C
• Title of publication: Thorium(IV) and Uranium(IV) Phosphaazaallenes
• Authors of publication: Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 105
• a: 12.1642 ± 0.0012 Å
• b: 12.1642 ± 0.0012 Å
• c: 26.953 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3988.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No