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Information card for entry 4517015
Preview
| Coordinates | 4517015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H34 Fe I2 N10 |
|---|---|
| Calculated formula | C36 H34 Fe I2 N10 |
| SMILES | [I-].[Fe]1234([n]5n(ccc5)c5[n]1c(N1C=2N(CCC)c2ccccc12)ccc5)[n]1c(N2C=3N(CCC)c3c2cccc3)cccc1n1[n]4ccc1.[I-] |
| Title of publication | Iron(II) Bis-CNN Pincer Complex-Catalyzed Cyclic Carbonate Synthesis at Room Temperature |
| Authors of publication | Chen, Fei; Liu, Ning; Dai, Bin |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | 9065 |
| a | 17.516 ± 0.005 Å |
| b | 19.233 ± 0.006 Å |
| c | 23.482 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7911 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1288 |
| Residual factor for significantly intense reflections | 0.0857 |
| Weighted residual factors for significantly intense reflections | 0.2502 |
| Weighted residual factors for all reflections included in the refinement | 0.2816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239697 (current) | 2019-11-24 | cif/ Adding structures of 4517015 via cif-deposit CGI script. |
4517015.cif |
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