Information card for entry 4316782

Structure parameters

• Formula: C100 H104 Na4 O6
• Calculated formula: C100 H104 Na4 O6
• SMILES: [Na]123[O]45[Na]67[O]1(Cc1c4c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)Cc1cc(cc(c1[O]26[Na]12[O]47[Na]65[O]1(Cc1c4c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)Cc1cc(cc(c1[O]326)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
• 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: 14.7006 ± 0.0006 Å
• b: 14.7006 ± 0.0006 Å
• c: 38.764 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8377.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No