Information card for entry 1518903

Structure parameters

• Formula: C44 H46 O2 P2 Zn2
• Calculated formula: C44 H46 O2 P2 Zn2
• SMILES: [Zn]12([P](c3c([O]2[Zn]2([P](c4c([O]12)c(cc(c4)C)C)(c1ccccc1)c1ccccc1)CC)c(cc(c3)C)C)(c1ccccc1)c1ccccc1)CC
• 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: 9.528 ± 0.009 Å
• b: 9.803 ± 0.009 Å
• c: 11.432 ± 0.011 Å
• α: 73.14 ± 0.02°
• β: 89.54 ± 0.02°
• γ: 74.29 ± 0.02°
• Cell volume: 980.8 ± 1.6 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: 0.1903
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No