Information card for entry 4349485

Structure parameters

• Formula: C72 H60 N8 Na4 O4
• Calculated formula: C72 H60 N8 Na4 O4
• SMILES: [O]123c4c5[n]6c(C=[N](c7c(cccc7C)C)[Na]726[O]26c8c9[n]%10c(C=[N](c%11c(cccc%11C)C)[Na]12%10[O]12c%10c%11[n]%12c(C=[N](c%13c(C)cccc%13C)[Na]32%12[O]27c3c7[n]%12c(ccc7ccc3)C=[N](c3c(cccc3C)C)[Na]612%12)ccc%11ccc%10)ccc9ccc8)ccc5ccc4
• 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: 14.787 ± 0.003 Å
• b: 15.067 ± 0.003 Å
• c: 18.853 ± 0.004 Å
• α: 81.79 ± 0.03°
• β: 71.41 ± 0.03°
• γ: 89.01 ± 0.03°
• Cell volume: 3938.6 ± 1.6 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: 0.1438
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No