Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037174
Preview
| Coordinates | 7037174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 N5 O8 Zn |
|---|---|
| Calculated formula | C23 H21 N5 O8 Zn |
| SMILES | [Zn]12([n]3c4ccccc4ccc3C[N]2(Cc2[n]1c1c(cc2)cccc1)CC(=O)OC)(ON(=O)=O)ON(=O)=O |
| Title of publication | Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands. |
| Authors of publication | Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 7 |
| Pages of publication | 2845 - 2858 |
| a | 13.9549 ± 0.0004 Å |
| b | 12.219 ± 0.0004 Å |
| c | 14.951 ± 0.0004 Å |
| α | 90° |
| β | 111.883 ± 0.002° |
| γ | 90° |
| Cell volume | 2365.68 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1194 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177785 (current) | 2016-03-05 | cif/ Updating files of 7037170, 7037171, 7037172, 7037173, 7037174, 7037175, 7037176, 7037177, 7037178, 7037179 Original log message: Adding full bibliography for 7037170--7037179.cif. |
7037174.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7037174.cif |
| 170246 | 2015-11-12 | cif/ Adding structures of 7037170, 7037171, 7037172, 7037173, 7037174, 7037175, 7037176, 7037177, 7037178, 7037179 via cif-deposit CGI script. |
7037174.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.