Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226747
Preview
| Coordinates | 7226747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | AP/18C6 |
|---|---|
| Chemical name | cocrystal |
| Formula | C12 H28 Cl N O10 |
| Calculated formula | C12 H28 Cl N O10 |
| SMILES | Cl(=O)(=O)(=O)[O-].O1CCOCCOCCOCCOCCOCC1.[NH4+] |
| Title of publication | Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties |
| Authors of publication | Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 43 |
| Pages of publication | 8487 |
| a | 21.9447 ± 0.0009 Å |
| b | 8.6823 ± 0.0003 Å |
| c | 22.5551 ± 0.0011 Å |
| α | 90° |
| β | 118.257 ± 0.006° |
| γ | 90° |
| Cell volume | 3785.3 ± 0.3 Å3 |
| Cell temperature | 176.41 ± 0.1 K |
| Ambient diffraction temperature | 176.41 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1616 |
| Weighted residual factors for all reflections included in the refinement | 0.1727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226747.cif |
| 194155 | 2017-03-10 | cif/7 Fixing some Z values and formulae. |
7226747.cif |
| 188085 | 2016-11-08 | cif/ Updating files of 7226745, 7226746, 7226747 Original log message: Adding full bibliography for 7226745--7226747.cif. |
7226747.cif |
| 187218 | 2016-10-08 | cif/ Adding structures of 7226745, 7226746, 7226747 via cif-deposit CGI script. |
7226747.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.