Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239303
Preview
| Coordinates | 2239303.cif |
|---|---|
| Structure factors | 2239303.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ~2~-2-Methoxyethanol-κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^3^)(2-methoxyethanol-κ<i>O</i>^1^)tris(μ~2~-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ<i>C</i>)trimercury(II) |
|---|---|
| Formula | C24 H16 F12 Hg3 O4 |
| Calculated formula | C24 H16 F12 Hg3 O4 |
| SMILES | [Hg]123[O](C)CC[O]1[Hg](c1c(F)c(F)c(F)c(F)c1[Hg]([OH]CCOC)c1c(F)c(F)c(F)c(F)c21)c1c3c(F)c(F)c(F)c1F |
| Title of publication | (μ~2~-2-Methoxyethanol-κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^3^)(2-methoxyethanol-κ<i>O</i>^1^)tris(μ~2~-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ^2^<i>C</i>^1^:<i>C</i>^2^)trimercury(II) |
| Authors of publication | Castañeda, Raúl; Draguta, Sergiu; Yakovenko, Andrey; Fonari, Marina; Timofeeva, Tatiana |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m164 - m165 |
| a | 10.17 ± 0.004 Å |
| b | 12.623 ± 0.005 Å |
| c | 12.962 ± 0.005 Å |
| α | 113.45 ± 0.005° |
| β | 110.411 ± 0.005° |
| γ | 92.795 ± 0.005° |
| Cell volume | 1396.3 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1195 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.1013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239303.cif 2239303.hkl |
| 181312 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/93. |
2239303.cif 2239303.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239303.cif 2239303.hkl |
| 109244 | 2014-04-10 | cif/ hkl/ Adding structures of 2239303 via cif-deposit CGI script. |
2239303.cif 2239303.hkl |
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.