Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7001188
Preview
| Coordinates | 7001188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 Cl Mn3 N4 O10 S2 |
|---|---|
| Calculated formula | C18 H10 Cl Mn3 N4 O10 S2 |
| SMILES | C(#[O])[Mn]1([S]2c3n(C)cc[n]3[Mn]3(C#[O])(C#[O])(C#[O])[S]1c1[n](ccn1C)[Mn]2(C#[O])(C#[O])(C#[O])[Cl]3)(C#[O])(C#[O])C#[O] |
| Title of publication | Tetranuclear group 7/8 mixed-metal and open trinuclear group 7 metal carbonyl clusters bearing bridging 2-mercapto-1-methylimidazole ligands |
| Authors of publication | Ghosh, Shishir; Kabir, Shariff E.; Pervin, Salina; Raha, Arun K.; Golzar Hossain, G. M.; Haworth, Daniel T.; Lindeman, Sergey V.; Bennett, Dennis W.; Siddiquee, Tasneem A.; Salassa, Luca; Roesky, Herbert W. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 18 |
| Pages of publication | 3510 - 3518 |
| a | 9.4042 ± 0.0001 Å |
| b | 9.4042 Å |
| c | 24.1341 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1848.44 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0187 |
| Residual factor for significantly intense reflections | 0.0183 |
| Weighted residual factors for significantly intense reflections | 0.0429 |
| Weighted residual factors for all reflections included in the refinement | 0.043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179708 (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 7/00/11. |
7001188.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001188.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001188.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001188.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.