Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7023438
Preview
| Coordinates | 7023438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | em15rd75 thf/hex |
|---|---|
| Formula | C40 H32 Au2 F20 S8 Tl2 |
| Calculated formula | C40 H32 Au2 F20 S8 Tl2 |
| Title of publication | Heterometallic gold(I)-thallium(I) compounds with crown thioethers. |
| Authors of publication | Blake, Alexander J.; Donamaría, Rocío; Fernández, Eduardo J; Lasanta, Tania; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 32 |
| Pages of publication | 11559 - 11570 |
| a | 9.0826 ± 0.0005 Å |
| b | 12.5273 ± 0.0007 Å |
| c | 12.9677 ± 0.0005 Å |
| α | 115.204 ± 0.003° |
| β | 98.272 ± 0.003° |
| γ | 103.41 ± 0.003° |
| Cell volume | 1248.28 ± 0.12 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7023438.cif |
| 179939 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/34. |
7023438.cif |
| 90533 | 2013-11-18 | cif/ Adding structures of 7023436, 7023437, 7023438 via cif-deposit CGI script. |
7023438.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.