Information card for entry 7014853

Structure parameters

• Formula: C60 H96 N4 O23 Zn5
• Calculated formula: C60 H96 N4 O23 Zn5
• SMILES: [Zn]123[N]4(CCOCC4)Cc4cc(C(C)(C)C)cc5c4[O]1[Zn]([N]1(C5)CCOCC1)(OC(=O)C)([O]=C(O[Zn]1([O]=C(O3)C)OC(C)=[O][Zn]435([N]6(CCOCC6)Cc6cc(C(C)(C)C)cc7c6[O]3[Zn]([O]=C(O1)C)([N]1(C7)CCOCC1)[O]=C(C)O4)OC(=[O]5)C)C)[O]=C(C)O2.O1CCCC1
• 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: 13.7988 ± 0.0004 Å
• b: 14.6192 ± 0.0004 Å
• c: 18.6856 ± 0.0005 Å
• α: 73.213 ± 0.002°
• β: 80.247 ± 0.002°
• γ: 85.375 ± 0.002°
• Cell volume: 3554.6 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1263
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No