Information card for entry 7014848

Structure parameters

• Formula: C23 H39 N O2 Zn
• Calculated formula: C23 H39 N O2 Zn
• SMILES: [Zn]12(Oc3c(cc(cc3C[N]31CCC[C@H]3C[O]2C)C(C)(C)C)C(C)(C)C)CC
• 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: 8.4855 ± 0.0002 Å
• b: 14.4219 ± 0.0004 Å
• c: 19.461 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2381.58 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No