Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2013310
Preview
Coordinates | 2013310.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Common name | N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate |
---|---|
Chemical name | N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate |
Formula | C6 H18 N2 S4 W |
Calculated formula | C6 H18 N2 S4 W |
SMILES | [W](=S)(=S)([S-])[S-].C[NH+](C)CC[NH+](C)C |
Title of publication | 1,3-Propanediammonium tetrathiotungstate and <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium tetrathiotungstate |
Authors of publication | Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 4 |
Pages of publication | m124 - m127 |
a | 8.5916 ± 0.0011 Å |
b | 12.3365 ± 0.001 Å |
c | 13.3799 ± 0.0009 Å |
α | 90° |
β | 101.113 ± 0.008° |
γ | 90° |
Cell volume | 1391.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0451 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections included in the refinement | 0.0693 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/2013310.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.