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Information card for entry 7039471
Preview
| Coordinates | 7039471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H20 Fe N6 |
|---|---|
| Calculated formula | C24 H20 Fe N6 |
| SMILES | C1=NN([Fe]2([n]3c1cccc3)[n]1c(C=NN2c2ccccc2)cccc1)c1ccccc1 |
| Title of publication | Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane. |
| Authors of publication | Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 27 |
| Pages of publication | 11061 - 11070 |
| a | 18.647 ± 0.004 Å |
| b | 9.818 ± 0.002 Å |
| c | 11.893 ± 0.003 Å |
| α | 90° |
| β | 107.839 ± 0.004° |
| γ | 90° |
| Cell volume | 2072.6 ± 0.8 Å3 |
| Cell temperature | 238 ± 2 K |
| Ambient diffraction temperature | 238 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039471.cif |
| 198633 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7039471.cif |
| 185396 | 2016-08-07 | cif/ Updating files of 7039469, 7039470, 7039471, 7039472, 7039473, 7039474, 7039475 Original log message: Adding full bibliography for 7039469--7039475.cif. |
7039471.cif |
| 183386 | 2016-06-11 | cif/ Adding structures of 7039469, 7039470, 7039471, 7039472, 7039473, 7039474, 7039475 via cif-deposit CGI script. |
7039471.cif |
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Users of the data should acknowledge the original authors of the
structural data.