Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027395
Preview
Coordinates | 7027395.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H54 F6 O6 P S6 Tl7 |
---|---|
Calculated formula | C30 F6 O6 P S6 Tl7 |
Title of publication | A new thallium‒thiolate coordination environment as found in the polymer [{Tl7(Sthff )6}n][PF6]n (HSthff = tetrahydrofurfurylthiol) |
Authors of publication | Barclay, J. Elaine; Evans, David J.; Davies, Sian C.; Hughes, David L.; Sobota, Piotr |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 10 |
Pages of publication | 1533 |
a | 14.401 ± 0.002 Å |
b | 23.66 ± 0.002 Å |
c | 15.2958 ± 0.0012 Å |
α | 90° |
β | 97.404 ± 0.009° |
γ | 90° |
Cell volume | 5168.2 ± 0.9 Å3 |
Cell temperature | 293 ± 1 K |
Ambient diffraction temperature | 293 ± 1 K |
Number of distinct elements | 7 |
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 | 0.1613 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for all reflections | 0.1328 |
Weighted residual factors for significantly intense reflections | 0.0873 |
Goodness-of-fit parameter for all reflections | 0.955 |
Goodness-of-fit parameter for significantly intense reflections | 1.141 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7027395.html
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.