Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4124449
Preview
| Coordinates | 4124449.cif |
|---|---|
| External links | PubChem |
| Chemical name | Cr (H2 O)4 H P2 O7 (H2 O)3 |
|---|---|
| Formula | Cr H15 O14 P2 |
| Calculated formula | Cr H15 O14 P2 |
| Title of publication | Crystal structure and chelate ring pucker of bidentate (pyrophosphato)tetraaquochromium(III) trihydrate, a model for metal-ADP coordination |
| Authors of publication | Merritt, E.A.; Dunaway-Mariano, D.; Sundaralingam, M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1981 |
| Journal volume | 103 |
| Pages of publication | 3565 - 3567 |
| a | 7.038 Å |
| b | 8.858 Å |
| c | 10.636 Å |
| α | 69.19° |
| β | 89.54° |
| γ | 68.37° |
| Cell volume | 570.379 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| 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. |
4124449.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4124449.cif |
| 155510 | 2015-09-09 | cif/ Adding structures of 4124449 via cif-deposit CGI script. |
4124449.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.