Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241961
Preview
| Coordinates | 7241961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H25 N5 O8 |
|---|---|
| Calculated formula | C16 H25 N5 O8 |
| SMILES | C1(=O)C(=CN(c2c1cnc(N1CC[NH2+]CC1)n2)CC)C(=O)O.C(=O)(CO)[O-].O.O |
| Title of publication | From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry |
| Authors of publication | Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 5 |
| Pages of publication | 1099 - 1109 |
| a | 7.2922 ± 0.0003 Å |
| b | 7.8666 ± 0.0003 Å |
| c | 17.1901 ± 0.0006 Å |
| α | 81.064 ± 0.002° |
| β | 79.634 ± 0.002° |
| γ | 80.387 ± 0.002° |
| Cell volume | 948.38 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262570 (current) | 2021-03-05 | cif/ Updating files of 7241957, 7241958, 7241959, 7241960, 7241961, 7241962 Original log message: Adding full bibliography for 7241957--7241962.cif. |
7241961.cif |
| 260127 | 2020-12-24 | cif/ Adding structures of 7241957, 7241958, 7241959, 7241960, 7241961, 7241962 via cif-deposit CGI script. |
7241961.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.