Information card for entry 4316780

Structure parameters

• Formula: C72 H68 Li2 O7
• Calculated formula: C72 H68 Li2 O7
• SMILES: [Li]12([O]3[Li]([O]4CCCC4)([O]4CCCC4)[O]2c2c(cc(cc2C[O]1Cc1c3c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)[O]1CCCC1.O1CCCC1.O1CCCC1
• 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: 17.0504 ± 0.0011 Å
• b: 24.7463 ± 0.0017 Å
• c: 15.1602 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6396.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No