Information card for entry 7043887

Structure parameters

• Formula: C100 H112 O6 P4 U
• Calculated formula: C92 H96 O4 P4 U
• SMILES: [U]12(Oc3c(cc(cc3P(c3ccccc3)c3ccccc3)C)C(C)(C)C)(Oc3c(cc(cc3[P]1(c1ccccc1)c1ccccc1)C)C(C)(C)C)(Oc1c(cc(cc1P(c1ccccc1)c1ccccc1)C)C(C)(C)C)Oc1c(cc(cc1[P]2(c1ccccc1)c1ccccc1)C)C(C)(C)C
• Title of publication: Ring opening polymerisation of lactide with uranium(iv) and cerium(iv) phosphinoaryloxide complexes
• Authors of publication: Sinclair, Fern; Hlina, Johann A.; Wells, Jordann A. L.; Shaver, Michael P.; Arnold, Polly L.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.0127 ± 0.0003 Å
• b: 14.0127 ± 0.0003 Å
• c: 21.3415 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4190.53 ± 0.15 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No