Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7012840
Preview
| Coordinates | 7012840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cis-[Co(dtc)~2~{P(OMe)~2~Ph}~2~]PF~6~ |
|---|---|
| Chemical name | cis-Bis(dimethyldithiocarbamato)bis(dimethyl phenylphosphonito)cobalt(III) Hexafluorophosphate |
| Formula | C22 H34 Co F6 N2 O4 P3 S4 |
| Calculated formula | C22 H34 Co F6 N2 O4 P3 S4 |
| SMILES | [Co]12([S]=C(S1)N(C)C)([S]=C(S2)N(C)C)([P](OC)(OC)c1ccccc1)[P](OC)(OC)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Syntheses, crystal structures and isomerization kinetics of a series of [Co(dtc)~2~{P(OMe)~3-n~Ph~n~}~2~]^+^ (n = 0–2) complexes (dtc^-^ = N,N-dimethyldithiocarbamate): role of σ-donicity, π-acidity, and cone angle of the P-ligands in the trans influence and trans effect |
| Authors of publication | Iwatsuki, Satoshi; Kashiwamura, Shinsaku; Kashiwabara, Kazuo; Suzuki, Takayoshi; Takagi, Hideo D. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 11 |
| Pages of publication | 2280 - 2292 |
| a | 11.732 ± 0.003 Å |
| b | 19.827 ± 0.005 Å |
| c | 14.553 ± 0.003 Å |
| α | 90° |
| β | 94.91 ± 0.02° |
| γ | 90° |
| Cell volume | 3372.8 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.3883 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.1318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297170 (current) | 2025-01-07 | Updated bibliography in entries 7012839-7012844. |
7012840.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012840.cif |
| 179832 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/28. |
7012840.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012840.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012840.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012840.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.