Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016108
Preview
Coordinates | 7016108.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H26 N2 O2 Pb S4 |
---|---|
Calculated formula | C12 H26 N2 O2 Pb S4 |
SMILES | [Pb]123(SC(=[S]1)OCC)(SC(=[S]2)OCC)[N](C)(C)CC[N]3(C)C |
Title of publication | Formation of PbS materials from lead xanthate precursors. |
Authors of publication | Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 26 |
Pages of publication | 6893 - 6900 |
a | 10.483 ± 0.0003 Å |
b | 12.0326 ± 0.0004 Å |
c | 8.1257 ± 0.0002 Å |
α | 90° |
β | 91.893 ± 0.002° |
γ | 90° |
Cell volume | 1024.4 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0624 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/7016108.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.