Information card for entry 4349487

Structure parameters

• Formula: C146 H152 N12 Na6 O6
• Calculated formula: C146 H152.428 N12 Na6 O6
• SMILES: [Na]1234[O]56[Na]7([n]8c9c6cccc9ccc8/C=N/c6c(cccc6C(C)C)C(C)C)[O]68[Na]95[n]5c%10c(ccc5/C=N/c5c(cccc5C(C)C)C(C)C)cccc%10[O]49[Na]45[O]1(c1c9[n]3c(C=[N]2c2c(cccc2C(C)C)C(C)C)ccc9ccc1)[Na]12[O]4([Na]36([N](=Cc4[n]3c3c(cccc83)cc4)c3c(cccc3C(C)C)C(C)C)[O]72c2c3[n]1c(/C=N/c1c(cccc1C(C)C)C(C)C)ccc3ccc2)c1c2[n]5c(/C=N/c3c(cccc3C(C)C)C(C)C)ccc2ccc1.c1(ccccc1)C.c1(ccccc1)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: 14.507 ± 0.003 Å
• b: 16.694 ± 0.003 Å
• c: 17 ± 0.003 Å
• α: 100.84 ± 0.03°
• β: 105.1 ± 0.03°
• γ: 115.3 ± 0.03°
• Cell volume: 3376 ± 2 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: 0.0953
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No