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Information card for entry 7124466
Preview
| Coordinates | 7124466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H42 Cl2 Cu N4 O14 |
|---|---|
| Calculated formula | C16 H42 Cl2 Cu N4 O14 |
| Title of publication | Mass spectrometric detection of enantioselectivity in three-component complexation, copper(ii)-chiral tetradentate ligand-free amino acid in solution. |
| Authors of publication | Nakakoji, Takashi; Sato, Hirofumi; Ono, Daisuke; Miyake, Hiroyuki; Shinoda, Satoshi; Tsukube, Hiroshi; Kawasaki, Hideya; Arakawa, Ryuichi; Shizuma, Motohiro |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 54 - 57 |
| a | 8.729 ± 0.009 Å |
| b | 8.729 ± 0.009 Å |
| c | 33.58 ± 0.04 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2216 ± 4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.277 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7124466.cif |
| 247577 | 2020-02-04 | cif/ Updating files of 7124466 Original log message: Adding full bibliography for 7124466.cif. |
7124466.cif |
| 227487 | 2019-11-12 | cif/ Adding structures of 7124466 via cif-deposit CGI script. |
7124466.cif |
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Users of the data should acknowledge the original authors of the
structural data.