Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070138
Preview
| Coordinates | 4070138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H16 F24 Hg6 O4 |
|---|---|
| Calculated formula | C44 H16 F24 Hg6 O4 |
| SMILES | O1CCOCCOCCOCC1.c12c(c(c(F)c(c2[Hg]c2c(c(c(c(c2F)F)F)F)[Hg]c2c([Hg]1)c(c(c(c2F)F)F)F)F)F)F.c12c(c(c(c(c1F)F)F)F)[Hg]c1c(c(F)c(c(c1F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]2 |
| Title of publication | Complexation of [12]Crown-4, [18]Crown-6, and 1,3,5-Trioxane with Cyclic Trimeric Perfluoro-o-phenylenemercury. Synthesis and Structures of the First Complexes of Crown Ethers with an Anticrown |
| Authors of publication | Tikhonova, Irina A.; Gribanyov, Dmitry A.; Tugashov, Kirill I.; Dolgushin, Fedor M.; Smol’yakov, Alexandr F.; Peregudov, Alexandr S.; Klemenkova, Zinaida S.; Shur, Vladimir B. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 22 |
| Pages of publication | 6567 |
| a | 11.4171 ± 0.0006 Å |
| b | 14.1322 ± 0.0007 Å |
| c | 14.3817 ± 0.0007 Å |
| α | 90° |
| β | 96.112 ± 0.001° |
| γ | 90° |
| Cell volume | 2307.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.0524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178590 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/01. |
4070138.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070138.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070138.cif |
| 40609 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070138, 4070139, 4070140, 4070141 via cif-deposit CGI script. |
4070138.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.