Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7028126
Preview
Coordinates | 7028126.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H56 B10 P2 Pt2 Te3 |
---|---|
Calculated formula | C31 H56 B10 P2 Pt2 Te3 |
SMILES | [Pt]12345([BH]678[BH]9%101[BH]1%112[BH]2%123[BH]346[BH]467[BH]789[BH]8%101[BH]1%112[CH]%1234[BH]6781)([Te]([Pt]([Te]5c1ccccc1)([Te]c1ccccc1)[P](CC)(CC)CC)c1ccccc1)[P](CC)(CC)CC |
Title of publication | Selenium and tellurium derivatives of a monocarbon platinacarbaborane complex † |
Authors of publication | Batten, Stewart A.; Jeffery, John C.; Rees, Leigh H.; Rudd, Martin D.; Stone, F. Gordon A. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 17 |
Pages of publication | 2839 |
a | 22.05 ± 0.005 Å |
b | 10.0228 ± 0.0015 Å |
c | 21.422 ± 0.004 Å |
α | 90° |
β | 115.4 ± 0.02° |
γ | 90° |
Cell volume | 4276.7 ± 1.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0382 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for all reflections | 0.0715 |
Weighted residual factors for significantly intense reflections | 0.0648 |
Goodness-of-fit parameter for all reflections | 1.171 |
Goodness-of-fit parameter for significantly intense reflections | 1.139 |
Diffraction radiation wavelength | 0.71073 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/7028126.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.