Information card for entry 1556428

Structure parameters

• Formula: C36 H53 N2 P Th
• Calculated formula: C36 H53 N2 P Th
• SMILES: [Th]123456789([c]%10([c]3([c]9([c]2([c]1%10C)C)C)C)C)([c]1([c]4([c]6(C)[c]5([c]71C)C)C)C)([N](C(C)(C)C)=[C]8=Pc1ccccc1)C#[N]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: 10.0829 ± 0.001 Å
• b: 33.981 ± 0.003 Å
• c: 10.7807 ± 0.0011 Å
• α: 90°
• β: 107.839 ± 0.0017°
• γ: 90°
• Cell volume: 3516.2 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No