Information card for entry 1518904

Structure parameters

• Formula: C80 H72 O4 P4 Zn2
• Calculated formula: C80 H72 O4 P4 Zn2
• SMILES: c12c(cc(cc1[P](c1ccccc1)(c1ccccc1)[Zn]1(O2)[O]2c3c(cc(cc3[P](c3ccccc3)(c3ccccc3)[Zn]342([O]1c1c(cc(cc1[P]3(c1ccccc1)c1ccccc1)C)C)Oc1c(cc(cc1[P]4(c1ccccc1)c1ccccc1)C)C)C)C)C)C
• Title of publication: P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate.
• Authors of publication: Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12376 - 12387
• a: 12.2606 ± 0.0009 Å
• b: 13.4731 ± 0.0009 Å
• c: 25.2245 ± 0.0018 Å
• α: 100.95 ± 0.002°
• β: 91.257 ± 0.002°
• γ: 114.877 ± 0.001°
• Cell volume: 3687 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No