Information card for entry 7018174

Structure parameters

• Formula: C86 H124 Er N4 Na O8
• Calculated formula: C86 H124 Er N4 Na O8
• SMILES: C(CN1Cc2c(OC1)c(cc(c2)C)C(C)(C)C)[N]12[Er]34(Oc5c(C1)cc(cc5C(C)(C)C)C)([N](CCN1Cc5c(OC1)c(cc(c5)C)C(C)(C)C)(Cc1c(c(cc(c1)C)C(C)(C)C)O4)Cc1c([O]34)c(cc(c1)C)C(C)(C)C)[O](c1c(cc(cc1C2)C)C(C)(C)C)[Na]4([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and characterization of benzoxazine-functionalized amine bridged bis(phenolate) lanthanide complexes and their application in the ring-opening polymerization of cyclic esters.
• Authors of publication: Liang, Zhenhua; Ni, Xufeng; Li, Xue; Shen, Zhiquan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2812 - 2819
• a: 32.2263 ± 0.0009 Å
• b: 12.5493 ± 0.0002 Å
• c: 27.4684 ± 0.0008 Å
• α: 90°
• β: 117.893 ± 0.004°
• γ: 90°
• Cell volume: 9818.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No