Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7004441
Preview
| Coordinates | 7004441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 Cl3 Co N4 O4 Zn |
|---|---|
| Calculated formula | C20 H22 Cl3 Co N4 O4 Zn |
| SMILES | [Zn](Cl)(Cl)(Cl)[O]=C1O[Co]234([n]5c(C[N]2(Cc2[n]4cccc2)Cc2[n]3c(ccc2)C)cccc5)O1.O |
| Title of publication | The donor ability of the chelated carbonate ligand: protonation and metallation of [(L)Co(O2CO)]+ complexes in aqueous solution |
| Authors of publication | McClintock, Lisa F.; Cavigliasso, Germán; Stranger, Robert; Blackman, Allan G. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 37 |
| Pages of publication | 4984 - 4992 |
| a | 8.2809 ± 0.0008 Å |
| b | 11.2581 ± 0.001 Å |
| c | 13.7533 ± 0.0011 Å |
| α | 95.303 ± 0.004° |
| β | 103.086 ± 0.004° |
| γ | 107.175 ± 0.005° |
| Cell volume | 1175.59 ± 0.19 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.0783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179748 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/44. |
7004441.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7004441.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004441.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004441.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004441.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.