Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7028124
Preview
Coordinates | 7028124.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H38 B10 Cl O P Pt Se |
---|---|
Calculated formula | C17 H38 B10 Cl O P Pt Se |
SMILES | [Pt]1234([Se]c5ccccc5)([B]567([CH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671)OCCCCCl)[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 | 11.2452 ± 0.0011 Å |
b | 11.9971 ± 0.0013 Å |
c | 20.475 ± 0.003 Å |
α | 90° |
β | 99.035 ± 0.013° |
γ | 90° |
Cell volume | 2728 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0378 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for all reflections | 0.0787 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Goodness-of-fit parameter for all reflections | 1.061 |
Goodness-of-fit parameter for significantly intense reflections | 1.118 |
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/7028124.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.