Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4509288
Preview
| Coordinates | 4509288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H33 Co N10 |
|---|---|
| Calculated formula | C50 H33 Co N10 |
| SMILES | [Co]123([n]4cccc4=C(c4cccn14)c1ccc(cc1)C#N)([n]1cccc1=C(c1cccn21)c1ccc(cc1)C#N)[n]1cccc1=C(c1cccn31)c1ccc(cc1)C#N.C(#N)C |
| Title of publication | Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes |
| Authors of publication | Telfer, Shane G.; Wuest, James D. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 4 |
| Pages of publication | 1923 |
| a | 33.1442 ± 0.0011 Å |
| b | 9.9036 ± 0.0003 Å |
| c | 28.9106 ± 0.001 Å |
| α | 90° |
| β | 120.359 ± 0.001° |
| γ | 90° |
| Cell volume | 8188.5 ± 0.5 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4509288.cif |
| 179628 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/92. |
4509288.cif |
| 97206 | 2014-01-29 | cif/ Adding structures of 4509286, 4509287, 4509288, 4509289, 4509290, 4509291 via cif-deposit CGI script. |
4509288.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.