Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4300747
Preview
| Coordinates | 4300747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-Carboxylato-phenylboronic acid nickel(II) hexahydrate |
|---|---|
| Formula | C14 H32 B2 Ni O18 |
| Calculated formula | C14 H32 B2 Ni O18 |
| SMILES | B(c1ccc(C(=O)[O-])cc1)(O)O.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[OH2].O.B(c1ccc(cc1)C(=O)[O-])(O)O.O.O |
| Title of publication | First Study of Metal Hybrids of Boronic Acids: Second-Sphere Coordination Networks in the Structures of 4-Carboxyphenylboronic Acid with Some Transition Metals |
| Authors of publication | SeethaLekshmi, Nanappan; Pedireddi, V. R. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 6 |
| Pages of publication | 2400 - 2402 |
| a | 6.781 ± 0.002 Å |
| b | 9.572 ± 0.003 Å |
| c | 9.824 ± 0.003 Å |
| α | 97.89 ± 0.04° |
| β | 92.05 ± 0.05° |
| γ | 108.55 ± 0.04° |
| Cell volume | 596.7 ± 0.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| 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 |
Version history
Version history is temporarily not available due to server issues.
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.