Information card for entry 4316779

Structure parameters

• Formula: C114 H120 Li4 O6
• Calculated formula: C114 H120 Li4 O6
• SMILES: [Li]1[O]2[Li]34[O](Cc5c2c(cc(c5)C(C)(C)c2ccccc2)C(C)(C)c2ccccc2)Cc2cc(cc(c2[O]13[Li]12[O]3[Li][O]42c2c(C[O]1Cc1c3c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)cc(cc2C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Synthesis and Structural Studies of Lithium and Sodium Complexes with OOO-Tridentate Bis(phenolate) Ligands: Effective Catalysts for the Ring-Opening Polymerization of l-Lactide
• Authors of publication: Yong Huang; Yueh-Hsuan Tsai; Wen-Chou Hung; Chieh-Shen Lin; Wei Wang; Jui-Hsien Huang; Saikat Dutta; Chu-Chieh Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9416 - 9425
• a: 11.9743 ± 0.0006 Å
• b: 13.0592 ± 0.0006 Å
• c: 15.8382 ± 0.0008 Å
• α: 100.367 ± 0.001°
• β: 95.247 ± 0.001°
• γ: 99.064 ± 0.001°
• Cell volume: 2387.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No