Information card for entry 4349486

Structure parameters

• Formula: C87 H84 N8 Na4 O4
• Calculated formula: C87 H84 N8 Na4 O4
• SMILES: [Na]1234[O]56[Na]78([O]9%10[Na]%11%12([O]1([Na]159[n]5c9c%10cccc9ccc5C=[N]1c1c(cccc1CC)CC)c1c5[n]3c(ccc5ccc1)C=[N]4c1c(CC)cccc1CC)[O]27c1c2[n]%11c(ccc2ccc1)C=[N]%12c1c(cccc1CC)CC)[n]1c(C=[N]8c2c(cccc2CC)CC)ccc2c1c6ccc2.c1c(cccc1)C
• Title of publication: Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide
• Authors of publication: Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 1178
• a: 15.57 ± 0.003 Å
• b: 17.11 ± 0.003 Å
• c: 18.14 ± 0.004 Å
• α: 93.88 ± 0.03°
• β: 93.24 ± 0.03°
• γ: 116.22 ± 0.03°
• Cell volume: 4305.2 ± 1.9 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2112
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0355
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No