Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1512786
Preview
| Coordinates | 1512786.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H13 Cu N5 O7 |
|---|---|
| Calculated formula | C18 H13 Cu N5 O7 |
| SMILES | [Cu]12([N](N=C(O1)c1c(O)c(N(=O)=O)c3ccccc3c1)=C(c1[n]2cccc1)C)ON(=O)=O |
| Title of publication | Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone in copper(II) complexes |
| Authors of publication | Hassan Hosseini-Monfared; Hannaneh Falakian; Rahman Bikas; Peter Mayer |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 394 |
| Pages of publication | 526 - 534 |
| a | 13.1801 ± 0.0005 Å |
| b | 15.175 ± 0.0006 Å |
| c | 16.0452 ± 0.0006 Å |
| α | 106.596 ± 0.0019° |
| β | 106.734 ± 0.002° |
| γ | 107.099 ± 0.0019° |
| Cell volume | 2686.3 ± 0.2 Å3 |
| Cell temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215051 (current) | 2019-05-13 | cif/1 Fixing Z values and formulae |
1512786.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512786.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512786.cif |
| 90871 | 2013-11-20 | cif/ Adding structures of 1512786 via cif-deposit CGI script. |
1512786.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.