Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1515959
Preview
| Coordinates | 1515959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H42 Co2 N11 O14.5 |
|---|---|
| Calculated formula | C42 H42 Co2 N11 O14.5 |
| SMILES | [Co]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)OO[Co]12([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[OH]3.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.OCC.OCC |
| Title of publication | Cryophotolysis of a caged oxygen compound for use in low temperature biological studies. |
| Authors of publication | Howard-Jones, Annaleise R; Adam, Virgile; Cowley, Andrew; Baldwin, Jack E.; Bourgeois, Dominique |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2009 |
| Journal volume | 8 |
| Journal issue | 8 |
| Pages of publication | 1150 - 1156 |
| a | 11.9774 ± 0.0002 Å |
| b | 13.4851 ± 0.0003 Å |
| c | 14.5529 ± 0.0003 Å |
| α | 81.9962 ± 0.0008° |
| β | 71.1326 ± 0.0008° |
| γ | 88.4819 ± 0.0011° |
| Cell volume | 2202.14 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0656 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for all reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.0522 |
| Weighted residual factors for all reflections included in the refinement | 0.0522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1213 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1515959.cif |
| 112682 | 2014-05-03 | cif/ Adding structures of 1515959 via cif-deposit CGI script. |
1515959.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.