Information card for entry 7043888

Structure parameters

• Formula: C84 H109 Ce O4 P3 Si
• Calculated formula: C72 H81 Ce O4 P3 Si
• SMILES: [Ce]123([P](c4c(O1)c(cc(c4)C)C(C)(C)C)(c1ccccc1)c1ccccc1)([P](c1c(O2)c(cc(c1)C)C(C)(C)C)(c1ccccc1)c1ccccc1)([P](c1c(O3)c(cc(c1)C)C(C)(C)C)(c1ccccc1)c1ccccc1)O[Si](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: 11.9128 ± 0.0003 Å
• b: 12.814 ± 0.0004 Å
• c: 25.3401 ± 0.0006 Å
• α: 102.706 ± 0.002°
• β: 102.325 ± 0.0019°
• γ: 93.444 ± 0.002°
• Cell volume: 3663.17 ± 0.18 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No