Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052502
Preview
| Coordinates | 7052502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H44 Co2 O8 P4 |
|---|---|
| Calculated formula | C56 H44 Co2 O8 P4 |
| SMILES | c1(ccccc1)[P](c1ccccc1)(CP(=O)(c1ccccc1)c1ccccc1)[Co](C#[O])(C#[O])(C#[O])[Co]([P](c1ccccc1)(c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O] |
| Title of publication | Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/ |
| Authors of publication | Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2004 |
| Journal volume | 28 |
| Journal issue | 4 |
| Pages of publication | 527 |
| a | 9.0167 ± 0.0006 Å |
| b | 10.6153 ± 0.0008 Å |
| c | 14.1165 ± 0.0012 Å |
| α | 80.777 ± 0.003° |
| β | 72.91 ± 0.005° |
| γ | 89.329 ± 0.004° |
| Cell volume | 1273.91 ± 0.17 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1118 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180079 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25. |
7052502.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052502.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052502.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7052502.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.