Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039698
Preview
Coordinates | 7039698.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H30 Cu12 I6 N12 S6 |
---|---|
Calculated formula | C30 H30 Cu12 I6 N12 S6 |
Title of publication | Three novel Cu6S6 cluster-based coordination compounds: synthesis, framework modulation and the sensing of small molecules and Fe(3+) ions. |
Authors of publication | Song, Jiang-Feng; Li, Si-Zhe; Zhou, Rui-Sha; Shao, Jia; Qiu, Xiao-Min; Jia, Ying-Ying; Wang, Jun; Zhang, Xiao |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 29 |
Pages of publication | 11883 - 11891 |
a | 11.5116 ± 0.0004 Å |
b | 11.0849 ± 0.0004 Å |
c | 20.7805 ± 0.0007 Å |
α | 90° |
β | 97.415 ± 0.003° |
γ | 90° |
Cell volume | 2629.52 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0505 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0478 |
Weighted residual factors for all reflections included in the refinement | 0.0519 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
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/7039698.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.