Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225068
Preview
| Coordinates | 7225068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H30 N O6 P2 |
|---|---|
| Calculated formula | C16 H30 N O6 P2 |
| Title of publication | A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids |
| Authors of publication | van Megen, M.; Frank, W.; Reiss, G. J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 20 |
| Pages of publication | 3574 |
| a | 4.7551 ± 0.0001 Å |
| b | 8.7442 ± 0.0003 Å |
| c | 22.6864 ± 0.0008 Å |
| α | 81.639 ± 0.003° |
| β | 87.13 ± 0.003° |
| γ | 88.196 ± 0.003° |
| Cell volume | 931.81 ± 0.05 Å3 |
| Cell temperature | 122 ± 2 K |
| Ambient diffraction temperature | 122 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7225068.cif |
| 185238 | 2016-08-07 | cif/ Updating files of 7225062, 7225063, 7225064, 7225065, 7225066, 7225067, 7225068, 7225069 Original log message: Adding full bibliography for 7225062--7225069.cif. |
7225068.cif |
| 182438 | 2016-04-30 | cif/ Adding structures of 7225062, 7225063, 7225064, 7225065, 7225066, 7225067, 7225068, 7225069 via cif-deposit CGI script. |
7225068.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.