Information card for entry 7220740

Structure parameters

• Formula: C55 H94 N5 O3 Si2 Y
• Calculated formula: C55 H92 N5 O3 Si2 Y
• SMILES: [Y]123([N]4(Cc5c(O2)c(cc(c5)C(C)(C)C)C(C)(C)C)CCN(Cc2c(O3)c(cc(c2)C(C)(C)C)C(C)(C)C)C4)([N](=C(N1C(C)C)N([Si](C)C)[Si](C)C)C(C)C)[O]1CCCC1.c1(ccccc1)C
• Title of publication: Synthesis and characterization of rare-earth metal guanidinates stabilized by amine-bridged bis(phenolate) ligands and their application in the controlled polymerization of rac-lactide and rac-β-butyrolactone
• Authors of publication: Zeng, Tinghua; Qian, Qinqin; Zhao, Bei; Yuan, Dan; Yao, Yingming; Shen, Qi
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.0592 ± 0.0016 Å
• b: 16.234 ± 0.002 Å
• c: 30.021 ± 0.004 Å
• α: 90°
• β: 90.787 ± 0.004°
• γ: 90°
• Cell volume: 5876.6 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1677
• Residual factor for significantly intense reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.3109
• Weighted residual factors for all reflections included in the refinement: 0.3494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No