Information card for entry 7014849

Structure parameters

• Formula: C31 H60 N2 O5 Si2 Zn
• Calculated formula: C31 H60 N2 O5 Si2 Zn
• SMILES: [Zn]12(N([Si](C)(C)C)[Si](C)(C)C)Oc3c(cc(cc3C[N]31CCOCCOCCOCC[O]2CC3)C(C)(C)C)C(C)(C)C
• Title of publication: Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.
• Authors of publication: Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 523 - 534
• a: 10.7067 ± 0.0004 Å
• b: 13.1381 ± 0.0005 Å
• c: 13.956 ± 0.0006 Å
• α: 76.371 ± 0.002°
• β: 72.957 ± 0.002°
• γ: 83.477 ± 0.002°
• Cell volume: 1821.97 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No