Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4339867
Preview
| Coordinates | 4339867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H42 Co N4 |
|---|---|
| Calculated formula | C34 H42 Co N4 |
| SMILES | [Co]12([N](c3c(cccc3C(C)C)C(C)C)=Cc3n2ccc3)[N](=Cc2n1ccc2)c1c(C(C)C)cccc1C(C)C |
| Title of publication | Synthesis and characterization of tetrahedral and square planar Bis(iminopyrrolyl) complexes of cobalt(II). |
| Authors of publication | Carabineiro, Sónia A; Silva, Leonel C.; Gomes, Pedro T.; Pereira, Laura C. J.; Veiros, Luís F; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Henriques, Rui T. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 17 |
| Pages of publication | 6880 - 6890 |
| a | 10.952 ± 0.003 Å |
| b | 16.279 ± 0.005 Å |
| c | 18.283 ± 0.004 Å |
| α | 84.472 ± 0.009° |
| β | 80.667 ± 0.01° |
| γ | 80.271 ± 0.008° |
| Cell volume | 3162.3 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1761 |
| Residual factor for significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.1713 |
| Weighted residual factors for all reflections included in the refinement | 0.2077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4339867.cif |
| 179501 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98. |
4339867.cif |
| 169182 | 2015-10-18 | cif/4: Fixing Z values and formulae |
4339867.cif |
| 117591 | 2014-06-15 | cif/ Adding structures of 4339866, 4339867, 4339868 via cif-deposit CGI script. |
4339867.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.