Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7033433
Preview
| Coordinates | 7033433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 F10 Mn2 O8 S2 |
|---|---|
| Calculated formula | C20 F10 Mn2 O8 S2 |
| SMILES | c1(c(c(c(c(c1F)F)F)F)F)[S]1[Mn](C#[O])(C#[O])(C#[O])(C#[O])[S](c2c(c(c(c(c2F)F)F)F)F)[Mn]1(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2. |
| Authors of publication | Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 7 |
| Pages of publication | 3020 - 3033 |
| a | 9.2997 ± 0.0002 Å |
| b | 16.5384 ± 0.0004 Å |
| c | 8.6285 ± 0.0001 Å |
| α | 90° |
| β | 116.849 ± 0.001° |
| γ | 90° |
| Cell volume | 1184.02 ± 0.04 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.026 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0547 |
| Weighted residual factors for all reflections included in the refinement | 0.0564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180040 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/34. |
7033433.cif |
| 133283 | 2015-03-06 | cif/ Updating files of 7033427, 7033428, 7033429, 7033430, 7033431, 7033432, 7033433, 7033434, 7033435, 7033436, 7033437, 7033438, 7033439, 7033440 Original log message: Adding full bibliography for 7033427--7033440.cif. |
7033433.cif |
| 128863 | 2014-12-20 | cif/ Adding structures of 7033427, 7033428, 7033429, 7033430, 7033431, 7033432, 7033433, 7033434, 7033435, 7033436, 7033437, 7033438, 7033439, 7033440 via cif-deposit CGI script. |
7033433.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.