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Information card for entry 4349485
Preview
| Coordinates | 4349485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349485.cif |
| 234814 | 2019-11-23 | cif/ Adding structures of 4349485, 4349486, 4349487, 4349488, 4349489, 4349490 via cif-deposit CGI script. |
4349485.cif |
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Users of the data should acknowledge the original authors of the
structural data.