Information card for entry 7018175

Structure parameters

• Formula: C98 H148 N4 Na O14 Y
• Calculated formula: C98 H148 N4 Na O14 Y
• SMILES: [N]12([Y]34(Oc5c(cc(C)cc5C[N]4(Cc4cc(C)cc(C(C)(C)C)c4O3)CCN3Cc4c(OC3)c(cc(C)c4)C(C)(C)C)C(C)(C)C)(Oc3c(C1)cc(C)cc3C(C)(C)C)Oc1c(C2)cc(cc1C(C)(C)C)C)CCN1COc2c(C(C)(C)C)cc(cc2C1)C.C1CCC[O]1[Na]12345([O]6CCCC6)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• 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: 16.6199 ± 0.0005 Å
• b: 18.4971 ± 0.0006 Å
• c: 19.0982 ± 0.0007 Å
• α: 88.399 ± 0.003°
• β: 81.357 ± 0.003°
• γ: 75.77 ± 0.002°
• Cell volume: 5626.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No