Information card for entry 7021529

Structure parameters

• Formula: C52 H74 Li N2 O6 Y
• Calculated formula: C52 H74 Li N2 O6 Y
• SMILES: c12c(cc(cc1CN1c3c([O]([Y]451([O]2[Li]1([O]2CCCC2)[O]2CCCC2)N(Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)[O]41)c1c([O]5C)cccc1)C)cccc3)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.
• Authors of publication: Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 28
• Pages of publication: 10179 - 10189
• a: 27.718 ± 0.003 Å
• b: 9.8144 ± 0.001 Å
• c: 20.41 ± 0.002 Å
• α: 90°
• β: 114.217 ± 0.002°
• γ: 90°
• Cell volume: 5063.6 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No