Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037179
Preview
| Coordinates | 7037179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H38 B2 F8 N6 Ni O4 |
|---|---|
| Calculated formula | C32 H38 B2 F8 N6 Ni O4 |
| SMILES | [B](F)(F)(F)[F-].c1cccc2C[N]3(Cc4cccc[n]4[Ni]453([n]12)[n]1ccccc1C[N]5(Cc1cccc[n]41)CCC(=O)OC)CCC(=O)OC.[B](F)(F)(F)[F-] |
| 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 | 19.4164 ± 0.0002 Å |
| b | 10.3421 ± 0.0001 Å |
| c | 17.9742 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3609.33 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7037179.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. |
7037179.cif |
| 170246 | 2015-11-12 | cif/ Adding structures of 7037170, 7037171, 7037172, 7037173, 7037174, 7037175, 7037176, 7037177, 7037178, 7037179 via cif-deposit CGI script. |
7037179.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.