Information card for entry 4317811

Structure parameters

• Common name: tris(3,5-di-tert-butyl-2-(2-(carbamoylmethylphosphineoxide)ethoxy)phen yl)methane
• Formula: C96 H124 N3 O9 P3
• Calculated formula: C91 H112 N3 O9 P3
• SMILES: P(=O)(CC(=O)NCCOc1c(C(c2c(OCCNC(=O)CP(=O)(c3ccccc3)c3ccccc3)c(C(C)(C)C)cc(C(C)(C)C)c2)c2c(OCCNC(=O)CP(=O)(c3ccccc3)c3ccccc3)c(C(C)(C)C)cc(C(C)(C)C)c2)cc(cc1C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Enhanced Selectivity for Actinides over Lanthanides with CMPO Ligands Secured to a C3-Symmetric Triphenoxymethane Platform
• Authors of publication: Matthew W. Peters; Eric J. Werner; Michael J. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1707 - 1716
• a: 18.207 ± 0.002 Å
• b: 22.309 ± 0.003 Å
• c: 22.805 ± 0.003 Å
• α: 90°
• β: 105.212 ± 0.005°
• γ: 90°
• Cell volume: 8938 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0849
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No