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Information card for entry 4125537
Preview
| Coordinates | 4125537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Co(14-TMC)(NO3)2 |
|---|---|
| Formula | C14 H32 Co N6 O6 |
| Calculated formula | C14 H32 Co N6 O6 |
| SMILES | [Co]1234(ON(=[O]1)=O)[N]1(CCC[N]2(C)CC[N]3(CCC[N]4(C)CC1)C)C.O=N(=O)[O-] |
| Title of publication | Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides. |
| Authors of publication | Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 6 |
| Pages of publication | 2234 - 2244 |
| a | 17.067 ± 0.0008 Å |
| b | 12.9148 ± 0.0006 Å |
| c | 8.7358 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1925.52 ± 0.17 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0925 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125537.cif |
| 193510 | 2017-03-04 | cif/ Updating files of 4125536, 4125537 Original log message: Adding full bibliography for 4125536--4125537.cif. |
4125537.cif |
| 192591 | 2017-03-01 | cif/ Adding structures of 4125537 via cif-deposit CGI script. |
4125537.cif |
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Users of the data should acknowledge the original authors of the
structural data.