Information card for entry 1556427

Structure parameters

• Formula: C38 H58 P2 Si2 U
• Calculated formula: C38 H58 P2 Si2 U
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[U]23451678(P([Si](C)(C)C)c2ccccc2)([c]2([c]1([c]6([c]7([c]28C)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: 12.0767 ± 0.0011 Å
• b: 12.0767 ± 0.0011 Å
• c: 26.931 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3927.8 ± 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: 0.0212
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No